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H1C
H1C
Name:methyl ~{N}-(5-butyl-1~{H}-benzimidazol-2-yl)carbamate
Formula:C13 H17 N3 O2
SMILES:CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1
InChi:InChI=1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17)
Definition date:2020-10-20
Last modified:2021-10-15
Release date:2021-10-20
Identifier:methyl ~{N}-(5-butyl-1~{H}-benzimidazol-2-yl)carbamate
H1O
H1O
Name:2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{H}-benzimidazole
Formula:C25 H23 N3 O3
SMILES:COc1cc(cc(OC)c1OC)c2cccc3nc([nH]c23)c4cccc5n(C)ccc45
InChi:InChI=1S/C25H23N3O3/c1-28-12-11-17-18(8-6-10-20(17)28)25-26-19-9-5-7-16(23(19)27-25)15-13-21(29-2)24(31-4)22(14-15)30-3/h5-14H,1-4H3,(H,26,27)
Definition date:2020-10-20
Last modified:2021-10-15
Release date:2021-10-20
Identifier:2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{H}-benzimidazole
5YY
5YY
Name:ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)benzamido)acetamido)acetate
Formula:C34 H39 N8 O6
SMILES:CCOC(=O)CNC(=O)CN(Cc1ccc2nc(n(CC3CCOCC3)c2c1)C4=CN(C)C(=O)C(=C4)C)C(=O)c5ccc(cc5)N=[N+]=N
InChi:InChI=1S/C34H38N8O6/c1-4-48-31(44)17-36-30(43)21-41(34(46)25-6-8-27(9-7-25)38-39-35)18-24-5-10-28-29(16-24)42(19-23-11-13-47-14-12-23)32(37-28)26-15-22(2)33(45)40(3)20-26/h5-10,15-16,20,23,35H,4,11-14,17-19,21H2,1-3H3/p+1
Definition date:2021-07-20
Last modified:2021-10-01
Release date:2021-10-06
Identifier:azanylidene-[4-[[2-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-(oxan-4-ylmethyl)benzimidazol-5-yl]methyl-[2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]carbamoyl]phenyl]imino-azanium
5Z1
5Z1
Name:4-benzoyl-N-(2-(2-(2-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)(methyl)amino)ethoxy)ethoxy)ethyl)-N-(2-oxo-2-((2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)amino)ethyl)benzamide
Formula:C50 H60 N6 O9
SMILES:CN(CCOCCOCCN(CC(=O)NCCOCCOCC#C)C(=O)c1ccc(cc1)C(=O)c2ccccc2)c3ccc4nc(n(CC5CCOCC5)c4c3)C6=CN(C)C(=O)C(=C6)C
InChi:InChI=1S/C50H60N6O9/c1-5-22-61-28-29-63-25-19-51-46(57)36-55(50(60)41-13-11-40(12-14-41)47(58)39-9-7-6-8-10-39)21-27-65-31-30-64-26-20-53(3)43-15-16-44-45(33-43)56(34-38-17-23-62-24-18-38)48(52-44)42-32-37(2)49(59)54(4)35-42/h1,6-16,32-33,35,38H,17-31,34,36H2,2-4H3,(H,51,57)
Definition date:2021-07-20
Last modified:2021-10-01
Release date:2021-10-06
Identifier:~{N}-[2-[2-[2-[[2-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-methyl-amino]ethoxy]ethoxy]ethyl]-~{N}-[2-oxidanylidene-2-[2-(2-prop-2-ynoxyethoxy)ethylamino]ethyl]-4-(phenylcarbonyl)benzamide
5Z4
5Z4
Name:ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate
Formula:C34 H35 F4 N8 O6
SMILES:CCOC(=O)CNC(=O)CN(Cc1ccc2nc(n(CC3CCOCC3)c2c1)C4=CN(C)C(=O)C(=C4)C)C(=O)c5c(F)c(F)c(N=[N+]=N)c(F)c5F
InChi:InChI=1S/C34H34F4N8O6/c1-4-52-25(48)13-40-24(47)17-45(34(50)26-27(35)29(37)31(42-43-39)30(38)28(26)36)14-20-5-6-22-23(12-20)46(15-19-7-9-51-10-8-19)32(41-22)21-11-18(2)33(49)44(3)16-21/h5-6,11-12,16,19,39H,4,7-10,13-15,17H2,1-3H3/p+1
Definition date:2021-07-20
Last modified:2021-10-01
Release date:2021-10-06
Identifier:azanylidene-[4-[[2-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-(oxan-4-ylmethyl)benzimidazol-5-yl]methyl-[2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]carbamoyl]-2,3,5,6-tetrakis(fluoranyl)phenyl]imino-azanium
QK2
QK2
Name:7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{H}-benzimidazol-2-one
Formula:C18 H24 F N3 O2
SMILES:Cc1cc(F)c2NC(=O)N(C3CCN(CC3)C4CCOCC4)c2c1
InChi:InChI=1S/C18H24FN3O2/c1-12-10-15(19)17-16(11-12)22(18(23)20-17)14-2-6-21(7-3-14)13-4-8-24-9-5-13/h10-11,13-14H,2-9H2,1H3,(H,20,23)
Definition date:2020-06-18
Last modified:2021-10-01
Release date:2021-10-06
Identifier:7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{H}-benzimidazol-2-one
UJ5
UJ5
Name:2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid
Formula:C19 H20 N2 O3
SMILES:CO[CH](c1[nH]c2cc(ccc2n1)C(O)=O)c3ccc(cc3)C(C)C
InChi:InChI=1S/C19H20N2O3/c1-11(2)12-4-6-13(7-5-12)17(24-3)18-20-15-9-8-14(19(22)23)10-16(15)21-18/h4-11,17H,1-3H3,(H,20,21)(H,22,23)/t17-/m0/s1
Definition date:2021-02-23
Last modified:2021-09-17
Release date:2021-09-22
Identifier:2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid
UJ8
UJ8
Name:(~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol
Formula:C17 H18 N2 O
SMILES:CC(C)c1ccc(cc1)[CH](O)c2[nH]c3ccccc3n2
InChi:InChI=1S/C17H18N2O/c1-11(2)12-7-9-13(10-8-12)16(20)17-18-14-5-3-4-6-15(14)19-17/h3-11,16,20H,1-2H3,(H,18,19)/t16-/m0/s1
Definition date:2021-02-23
Last modified:2021-09-17
Release date:2021-09-22
Identifier:(~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol
8CN
8CN
Name:(2R)-2-amino-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
Formula:C9 H18 N2 O
SMILES:CC1CCCCN1C(=O)C(C)N
InChi:InChI=1S/C9H18N2O/c1-7-5-3-4-6-11(7)9(12)8(2)10/h7-8H,3-6,10H2,1-2H3/t7-,8+/m0/s1
Definition date:2021-09-14
Last modified:2021-09-17
Release date:2021-09-22
Identifier:(2R)-2-amino-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
UC8
UC8
Name:~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide
Formula:C35 H36 N6 O3
SMILES:CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)c5ncc(cc5c6ccccc6)C(=O)NC)c2c1
InChi:InChI=1S/C35H36N6O3/c1-3-32(42)38-27-13-14-30-31(20-27)41(35(44)39-30)28-15-17-40(18-16-28)22-23-9-11-25(12-10-23)33-29(24-7-5-4-6-8-24)19-26(21-37-33)34(43)36-2/h4-14,19-21,28H,3,15-18,22H2,1-2H3,(H,36,43)(H,38,42)(H,39,44)
Definition date:2021-02-10
Last modified:2021-09-03
Release date:2021-09-08
Identifier:~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide
UCE
UCE
Name:~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Formula:C34 H35 N5 O3
SMILES:CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)c5ncc(CO)cc5c6ccccc6)c2c1
InChi:InChI=1S/C34H35N5O3/c1-2-32(41)36-27-12-13-30-31(19-27)39(34(42)37-30)28-14-16-38(17-15-28)21-23-8-10-26(11-9-23)33-29(18-24(22-40)20-35-33)25-6-4-3-5-7-25/h3-13,18-20,28,40H,2,14-17,21-22H2,1H3,(H,36,41)(H,37,42)
Definition date:2021-02-10
Last modified:2021-09-03
Release date:2021-09-08
Identifier:~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
60I
60I
Name:[4-[[3-(2,2-dimethylpropyl)-1~{H}-benzimidazol-2-yl]methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
Formula:C24 H34 N6 O
SMILES:O=C(c1c(C)n(C)nc1C)N1CCN(Cc2nc3ccccc3n2CC(C)(C)C)CC1
InChi:InChI=1S/C24H34N6O/c1-17-22(18(2)27(6)26-17)23(31)29-13-11-28(12-14-29)15-21-25-19-9-7-8-10-20(19)30(21)16-24(3,4)5/h7-10H,11-16H2,1-6H3
Definition date:2021-07-30
Last modified:2021-09-03
Release date:2021-09-08
Identifier:(4-{[1-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]methyl}piperazin-1-yl)(1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
0BQ
0BQ
Name:5-(1H-benzimidazol-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Formula:C9 H7 N5 O
SMILES:O=C1NC(=NN1)c1[NH]c2ccccc2n1
InChi:InChI=1S/C9H7N5O/c15-9-12-8(13-14-9)7-10-5-3-1-2-4-6(5)11-7/h1-4H,(H,10,11)(H2,12,13,14,15)
Definition date:2021-06-07
Last modified:2021-09-03
Release date:2021-09-08
Identifier:5-(1H-benzimidazol-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
YRP
YRP
Name:(2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide
Formula:C22 H20 Cl F2 N3 O
SMILES:Clc1ccc(cc1)NC(=O)C(C)C1C2CC(CC21)n1cnc2cc(F)c(F)cc21
InChi:InChI=1S/C22H20ClF2N3O/c1-11(22(29)27-13-4-2-12(23)3-5-13)21-15-6-14(7-16(15)21)28-10-26-19-8-17(24)18(25)9-20(19)28/h2-5,8-11,14-16,21H,6-7H2,1H3,(H,27,29)/t11-,14-,15-,16+,21+/m1/s1
Definition date:2021-03-29
Last modified:2021-08-27
Release date:2021-09-01
Identifier:(2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide
CNC
CNC
Name:CYANOCOBALAMIN
Formula:C63 H89 Co N14 O14 P
SMILES:NC(=O)CC1(C)C2=C(C)C=3C(CCC(N)=O)C(C)(CC(N)=O)C4(C)N=3[Co+2]35(C#N)N2=C(C=C2n3c(C(CCC(N)=O)C2(C)C)c(C)c2n5C4C(CC(N)=O)C2(C)CCC(=O)NCC(C)OP(=O)(O)OC2C(CO)OC(n3cnc4cc(C)c(C)cc43)C2O)C1CCC(N)=O
InChi:InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56
Definition date:1999-07-08
Last modified:2021-08-10
Identifier:(cyanido-kappaC)[5-(5,6-dimethyl-1H-benzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl 1-{3-[3,14,19-tris(2-amino-2-oxoethyl)-8,13,18-tris(3-amino-3-oxopropyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1~2,5~.1~7,10~.1~12,15~]tricosa-5,7(22),10,12(21),15,17(20)-hexaen-4-yl-kappa~4~N~20~,N~21~,N~22~,N~23~]propanamido}propan-2-yl hydrogenato phosphate]cobalt(2+) (non-preferred name)
RXE
RXE
Name:~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide
Formula:C23 H22 Br4 Cl2 N4 O2
SMILES:Clc1ccc(CCNC(=O)CCC(=O)NCCCCn2cnc3c(Br)c(Br)c(Br)c(Br)c23)cc1Cl
InChi:InChI=1S/C23H22Br4Cl2N4O2/c24-18-19(25)21(27)23-22(20(18)26)32-12-33(23)10-2-1-8-30-16(34)5-6-17(35)31-9-7-13-3-4-14(28)15(29)11-13/h3-4,11-12H,1-2,5-10H2,(H,30,34)(H,31,35)
Synonyms:KN2
Definition date:2020-10-29
Last modified:2021-07-30
Release date:2021-08-04
Identifier:~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide
TVT
TVT
Name:2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile
Formula:C14 H16 F3 N7
SMILES:CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F
InChi:InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)
Synonyms:2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
Definition date:2021-01-14
Last modified:2021-07-02
Release date:2021-07-07
Identifier:2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
UJZ
UJZ
Name:4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole
Formula:C8 H4 Br F3 N2
SMILES:FC(F)(F)c1cc(Br)c2nc[nH]c2c1
InChi:InChI=1S/C8H4BrF3N2/c9-5-1-4(8(10,11)12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14)
Definition date:2021-02-26
Last modified:2021-06-25
Release date:2021-06-30
Identifier:4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole
98K
98K
Name:2-chloranyl-1~{H}-benzimidazole
Formula:C7 H5 Cl N2
SMILES:Clc1[nH]c2ccccc2n1
InChi:InChI=1S/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)
Definition date:2017-04-28
Last modified:2021-06-25
Release date:2021-06-30
Identifier:2-chloranyl-1~{H}-benzimidazole
V1K
V1K
Name:2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole
Formula:C15 H13 Cl N2 O3 S
SMILES:COc1ccc2nc(Cl)n(c2c1)[S](=O)(=O)c3ccc(C)cc3
InChi:InChI=1S/C15H13ClN2O3S/c1-10-3-6-12(7-4-10)22(19,20)18-14-9-11(21-2)5-8-13(14)17-15(18)16/h3-9H,1-2H3
Definition date:2021-04-06
Last modified:2021-06-04
Release date:2021-06-09
Identifier:2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole
V2K
V2K
Name:4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
Formula:C16 H14 N2 O2
SMILES:COc1ccc2n(c(C)nc2c1)c3ccc(C=O)cc3
InChi:InChI=1S/C16H14N2O2/c1-11-17-15-9-14(20-2)7-8-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3
Definition date:2021-04-08
Last modified:2021-06-04
Release date:2021-06-09
Identifier:4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
V2N
V2N
Name:4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
Formula:C16 H14 N2 O2
SMILES:COc1ccc2nc(C)n(c3ccc(C=O)cc3)c2c1
InChi:InChI=1S/C16H14N2O2/c1-11-17-15-8-7-14(20-2)9-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3
Definition date:2021-04-08
Last modified:2021-06-04
Release date:2021-06-09
Identifier:4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
UON
UON
Name:4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde
Formula:C15 H11 Cl N2 O2
SMILES:COc1ccc2n(c(Cl)nc2c1)c3ccc(C=O)cc3
InChi:InChI=1S/C15H11ClN2O2/c1-20-12-6-7-14-13(8-12)17-15(16)18(14)11-4-2-10(9-19)3-5-11/h2-9H,1H3
Definition date:2021-03-03
Last modified:2021-06-04
Release date:2021-06-09
Identifier:4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde
UOT
UOT
Name:4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde
Formula:C15 H11 Cl N2 O2
SMILES:COc1ccc2nc(Cl)n(c3ccc(C=O)cc3)c2c1
InChi:InChI=1S/C15H11ClN2O2/c1-20-12-6-7-13-14(8-12)18(15(16)17-13)11-4-2-10(9-19)3-5-11/h2-9H,1H3
Definition date:2021-03-03
Last modified:2021-06-04
Release date:2021-06-09
Identifier:4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde
USS
USS
Name:3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2,3,4,5-tetrahydropyridin-4-yl]-1~{H}-benzimidazol-2-one
Formula:C22 H22 F N3 O2
SMILES:Fc4ccc(C(=O)CCCN1CC=C(CC1)N2C(Nc3c2cccc3)=O)cc4
InChi:InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)
Synonyms:droperidol
Definition date:2020-05-29
Last modified:2021-05-28
Release date:2021-06-02
Identifier:1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one

222415

PDB entries from 2024-07-10

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