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PDB Info pages Status search Chemie search: 925 results BIRD

2MQ

2MQ
Name:	6-amino-4-(2-aminoethyl)-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Formula:	C12 H15 N7 O
SMILES:	O=C3NC(=Nc2c(c1nc(nc1cc23)NC)CCN)N
InChi:	InChI=1S/C12H15N7O/c1-15-12-16-7-4-6-8(17-11(14)19-10(6)20)5(2-3-13)9(7)18-12/h4H,2-3,13H2,1H3,(H2,15,16,18)(H3,14,17,19,20)
Definition date:	2009-03-02
Last modified:	2011-06-04
Identifier:	6-amino-4-(2-aminoethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

GIG

GIG
Name:	METHYL (5-{4-[({[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-1H-BENZIMIDAZOL-2-YL)CARBAMATE
Formula:	C23 H17 F4 N5 O4
SMILES:	FC(F)(F)c1cc(c(F)cc1)NC(=O)Nc4ccc(Oc3ccc2c(nc(n2)NC(=O)OC)c3)cc4
InChi:	InChI=1S/C23H17F4N5O4/c1-35-22(34)32-20-29-17-9-7-15(11-19(17)30-20)36-14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34)
Definition date:	2007-01-10
Last modified:	2011-06-04
Identifier:	methyl {5-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1H-benzimidazol-2-yl}carbamate

5JZ

5JZ
Name:	N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide
Formula:	C36 H38 N8 O5
SMILES:	O=C(N2c1ccccc1CCC2)c3ccc4ncn(c4c3)c5nc(nc(OCC)n5)NC(C(=O)NC)Cc6ccc7OC(OCc7c6)(C)C
InChi:	InChI=1S/C36H38N8O5/c1-5-47-35-41-33(39-27(31(45)37-4)18-22-12-15-30-25(17-22)20-48-36(2,3)49-30)40-34(42-35)44-21-38-26-14-13-24(19-29(26)44)32(46)43-16-8-10-23-9-6-7-11-28(23)43/h6-7,9,11-15,17,19,21,27H,5,8,10,16,18,20H2,1-4H3,(H,37,45)(H,39,40,41,42)/t27-/m0/s1
Definition date:	2009-05-04
Last modified:	2011-06-04
Identifier:	N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide

5MB

5MB
Name:	5-METHYLBENZIMIDAZOLE
Formula:	C8 H8 N2
SMILES:	n2c1ccc(cc1nc2)C
InChi:	InChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)
Definition date:	2001-07-03
Last modified:	2011-06-04
Identifier:	6-methyl-1H-benzimidazole

5OB

5OB
Name:	5-METHOXYBENZIMIDAZOLE
Formula:	C8 H8 N2 O
SMILES:	n2c1ccc(OC)cc1nc2
InChi:	InChI=1S/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)
Definition date:	2001-07-03
Last modified:	2011-06-04
Identifier:	6-methoxy-1H-benzimidazole

H06

H06
Name:	(E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide
Formula:	C14 H13 N5 O
SMILES:	O=C(NN=Cc1ccc(C(=[N@H])N)cc1)c2cccnc2
InChi:	InChI=1S/C14H13N5O/c15-13(16)11-5-3-10(4-6-11)8-18-19-14(20)12-2-1-7-17-9-12/h1-9H,(H3,15,16)(H,19,20)/b18-8+
Definition date:	2009-10-13
Last modified:	2011-06-04
Identifier:	4-{(E)-[2-(pyridin-3-ylcarbonyl)hydrazinylidene]methyl}benzenecarboximidamide

4BX

4BX
Name:	3-(1H-benzimidazol-2-yl)propanoic acid
Formula:	C10 H10 N2 O2
SMILES:	O=C(O)CCc2nc1ccccc1n2
InChi:	InChI=1S/C10H10N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)
Definition date:	2009-10-22
Last modified:	2011-06-04
Identifier:	3-(1H-benzimidazol-2-yl)propanoic acid

HAN

HAN
Name:	2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-1-PENTANOIC ACID
Formula:	C14 H19 N3 O2
SMILES:	O=C(O)CCCCn1c2cc(c(cc2nc1N)C)C
InChi:	InChI=1S/C14H19N3O2/c1-9-7-11-12(8-10(9)2)17(14(15)16-11)6-4-3-5-13(18)19/h7-8H,3-6H2,1-2H3,(H2,15,16)(H,18,19)
Definition date:	2004-12-30
Last modified:	2011-06-04
Identifier:	5-(2-amino-5,6-dimethyl-1H-benzimidazol-1-yl)pentanoic acid

HCB

HCB
Name:	5-HYDROXYBENZIMIDAZOLYLCOBAMIDE
Formula:	C60 H84 Co N13 O15 P
SMILES:	C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2N3C1=C(C)C4=[N+]5C(=CC6=[N+]7C(=C(C)C8=[N+]([C]2(C)[C](C)(CC(N)=O)[CH]8CCC(N)=O)[Co]357)[C](C)(CC(N)=O)[CH]6CCC(N)=O)C(C)(C)[CH]4CCC(N)=O)O[P]([O-])(=O)O[CH]9[CH](O)[CH](O[CH]9CO)n%10cnc%11cc(O)ccc%10%11
InChi:	InChI=1S/C60H86N13O15P.Co/c1-28(87-89(84,85)88-51-39(26-74)86-55(50(51)83)73-27-68-37-20-31(75)10-14-38(37)73)25-67-47(82)18-19-57(6)35(21-44(64)79)54-60(9)59(8,24-46(66)81)34(13-17-43(63)78)49(72-60)30(3)53-58(7,23-45(65)80)32(11-15-41(61)76)36(69-53)22-40-56(4,5)33(12-16-42(62)77)48(70-40)29(2)52(57)71-54
Definition date:	2004-09-28
Last modified:	2011-06-04

1BM

1BM
Name:	3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-4-YL]AMINO}-4-METHYLPHENOL
Formula:	C24 H29 N7 O
SMILES:	Oc1cc(c(cc1)C)Nc2nc(nc(NCCN(CC)CC)c2)n3c4ccccc4nc3
InChi:	InChI=1S/C24H29N7O/c1-4-30(5-2)13-12-25-22-15-23(27-20-14-18(32)11-10-17(20)3)29-24(28-22)31-16-26-19-8-6-7-9-21(19)31/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,25,27,28,29)
Definition date:	2006-07-19
Last modified:	2011-06-04
Identifier:	3-{[2-(1H-benzimidazol-1-yl)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-yl]amino}-4-methylphenol

1EU

1EU
Name:	1-(4-acetyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea
Formula:	C17 H17 N5 O2
SMILES:	O=C(c2cc(cc1c2nc(n1)NC(=O)NCC)c3cccnc3)C
InChi:	InChI=1S/C17H17N5O2/c1-3-19-17(24)22-16-20-14-8-12(11-5-4-6-18-9-11)7-13(10(2)23)15(14)21-16/h4-9H,3H2,1-2H3,(H3,19,20,21,22,24)
Definition date:	2009-01-21
Last modified:	2011-06-04
Identifier:	1-(4-acetyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea

276

276
Name:	4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide
Formula:	C21 H15 Cl F3 N5 O2
SMILES:	FC(F)(F)c1cc(ccc1Cl)Nc4nc3ccc(Oc2ccnc(C(=O)NC)c2)cc3n4
InChi:	InChI=1S/C21H15ClF3N5O2/c1-26-19(31)18-10-13(6-7-27-18)32-12-3-5-16-17(9-12)30-20(29-16)28-11-2-4-15(22)14(8-11)21(23,24)25/h2-10H,1H3,(H,26,31)(H2,28,29,30)
Definition date:	2007-08-09
Last modified:	2011-06-04
Identifier:	4-[(2-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-6-yl)oxy]-N-methylpyridine-2-carboxamide

IA
Name:	2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Formula:	C25 H24 I N6
SMILES:	Ic1cccc(c1)c3nc2ccc(cc2n3)c6nc4c(cc(cc4)N5CC[NH+](CC5)C)n6
InChi:	InChI=1S/C25H23IN6/c1-31-9-11-32(12-10-31)19-6-8-21-23(15-19)30-25(28-21)17-5-7-20-22(14-17)29-24(27-20)16-3-2-4-18(26)13-16/h2-8,13-15H,9-12H2,1H3,(H,27,29)(H,28,30)/p+1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-[2'-(3-iodophenyl)-1H,3'H-2,5'-bibenzimidazol-6-yl]-1-methylpiperazin-1-ium

IB
Name:	2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Formula:	C26 H26 I N6 O
SMILES:	Ic1c(OC)ccc(c1)c3nc2ccc(cc2n3)c6nc4c(cc(cc4)N5CC[NH+](CC5)C)n6
InChi:	InChI=1S/C26H25IN6O/c1-32-9-11-33(12-10-32)18-5-7-21-23(15-18)31-26(29-21)17-3-6-20-22(14-17)30-25(28-20)16-4-8-24(34-2)19(27)13-16/h3-8,13-15H,9-12H2,1-2H3,(H,28,30)(H,29,31)/p+1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-[2'-(3-iodo-4-methoxyphenyl)-1H,3'H-2,5'-bibenzimidazol-6-yl]-1-methylpiperazin-1-ium

IBB

IBB
Name:	5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE
Formula:	C23 H20 N6 O
SMILES:	Oc1ccc(cc1)c3nc2ccc(cc2n3)c4nc5c(n4)cc(cc5)C6NCCN6
InChi:	InChI=1S/C23H20N6O/c30-16-5-1-13(2-6-16)22-26-17-8-4-15(12-20(17)28-22)23-27-18-7-3-14(11-19(18)29-23)21-24-9-10-25-21/h1-8,11-12,21,24-25,30H,9-10H2,(H,26,28)(H,27,29)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-(6-imidazolidin-2-yl-1H,3'H-2,5'-bibenzimidazol-2'-yl)phenol

IDZ

IDZ
Name:	3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE
Formula:	C14 H10 N4
SMILES:	n2c(c1ccccc1n2)c3nc4ccccc4n3
InChi:	InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)
Definition date:	2005-10-10
Last modified:	2011-06-04
Identifier:	3-(1H-benzimidazol-2-yl)-1H-indazole

II4

II4
Name:	1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5-AMINE
Formula:	C14 H13 N3
SMILES:	n2c1cc(ccc1n(c2)c3cc(ccc3)C)N
InChi:	InChI=1S/C14H13N3/c1-10-3-2-4-12(7-10)17-9-16-13-8-11(15)5-6-14(13)17/h2-9H,15H2,1H3
Definition date:	2009-05-04
Last modified:	2011-06-04
Identifier:	1-(3-methylphenyl)-1H-benzimidazol-5-amine

IOL

IOL
Name:	4-IODOPHENOL
Formula:	C6 H5 I O
SMILES:	Ic1ccc(O)cc1
InChi:	InChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H
Definition date:	2000-04-28
Last modified:	2011-06-04
Identifier:	4-iodophenol

ISH

ISH
Name:	(7R)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazol-2-amine
Formula:	C17 H27 N5 O
SMILES:	CN(C)CCCn1c(N)nc2ccc3O[CH](CN(C)C)Cc3c12
InChi:	InChI=1S/C17H27N5O/c1-20(2)8-5-9-22-16-13-10-12(11-21(3)4)23-15(13)7-6-14(16)19-17(22)18/h6-7,12H,5,8-11H2,1-4H3,(H2,18,19)/t12-/m1/s1
Definition date:	2010-02-25
Last modified:	2011-06-04
Identifier:	(7R)-7-(dimethylaminomethyl)-1-[3-(dimethylamino)propyl]-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine

ISI

ISI
Name:	(7S)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazol-2-amine
Formula:	C17 H27 N5 O
SMILES:	CN(C)CCCn1c(N)nc2ccc3O[CH](CN(C)C)Cc3c12
InChi:	InChI=1S/C17H27N5O/c1-20(2)8-5-9-22-16-13-10-12(11-21(3)4)23-15(13)7-6-14(16)19-17(22)18/h6-7,12H,5,8-11H2,1-4H3,(H2,18,19)/t12-/m0/s1
Definition date:	2010-02-17
Last modified:	2011-06-04
Identifier:	(7S)-7-(dimethylaminomethyl)-1-[3-(dimethylamino)propyl]-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine

IZB

IZB
Name:	N-[(1S)-1-(1H-BENZIMIDAZOL-2-YL)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}ETHYL]-4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE
Formula:	C27 H27 N5 O6 S2
SMILES:	O=C6NS(=O)(=O)C(c1ccc(cc1)CC(c2nc3ccccc3n2)NS(=O)(=O)c5ccc4N(C)CCOc4c5)C6
InChi:	InChI=1S/C27H27N5O6S2/c1-32-12-13-38-24-15-19(10-11-23(24)32)39(34,35)30-22(27-28-20-4-2-3-5-21(20)29-27)14-17-6-8-18(9-7-17)25-16-26(33)31-40(25,36)37/h2-11,15,22,25,30H,12-14,16H2,1H3,(H,28,29)(H,31,33)/t22-,25-/m0/s1
Definition date:	2006-05-21
Last modified:	2011-06-04
Identifier:	N-[(1S)-1-(1H-benzimidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

IZE

IZE
Name:	N-{(1S)-2-{4-[(5R)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-1-[5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-YL]ETHYL}-2,2,2-TRIFLUOROACETAMIDE
Formula:	C21 H16 F6 N4 O4 S
SMILES:	O=C4NS(=O)(=O)C(c1ccc(cc1)CC(c2nc3cc(ccc3n2)C(F)(F)F)NC(=O)C(F)(F)F)C4
InChi:	InChI=1S/C21H16F6N4O4S/c22-20(23,24)12-5-6-13-14(8-12)29-18(28-13)15(30-19(33)21(25,26)27)7-10-1-3-11(4-2-10)16-9-17(32)31-36(16,34)35/h1-6,8,15-16H,7,9H2,(H,28,29)(H,30,33)(H,31,32)/t15-,16-/m0/s1
Definition date:	2006-05-21
Last modified:	2011-06-04
Identifier:	N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl}-2,2,2-trifluoroacetamide

4SR

4SR
Name:	(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-2-ONE
Formula:	C16 H21 N O3
SMILES:	O=C3NCC(c2cc(OC1CCCC1)c(OC)cc2)C3
InChi:	InChI=1/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1/f/h17H
Synonyms:	(S)-ROLIPRAM
Definition date:	2004-11-18
Last modified:	2009-09-29
Identifier:	(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one

4RR

4RR
Name:	(4R)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-2-ONE
Formula:	C16 H21 N O3
SMILES:	O=C3NCC(c2cc(OC1CCCC1)c(OC)cc2)C3
InChi:	InChI=1/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1/f/h17H
Synonyms:	(R)-ROLIPRAM
Definition date:	2004-11-17
Last modified:	2008-10-14
Identifier:	(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one

RIC

RIC
Name:	PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2YLMETHYL] ESTER
Formula:	C14 H19 N2 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1cc(c(cc12)C)C)C(O)C3O
InChi:	InChI=1/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1/f/h19-20H
Definition date:	1999-09-17
Last modified:	2008-10-14
Identifier:	5,6-dimethyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole

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