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JFA

Summary
Name:1-[(1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2H-imidazol-2-one
Formula:C18 H14 Cl2 N4 O
Formal charge:0
Formula weight:373.236 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[(1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2H-imidazol-2-one
OpenEye OEToolkits2.0.63-(1~{H}-benzimidazol-2-ylmethyl)-5-[(2,4-dichlorophenyl)methyl]-1~{H}-imidazol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c4cc(CC=1NC(=O)N(C=1)Cc2nc3c(n2)cccc3)c(Cl)cc4Cl
InChIInChI1.03InChI=1S/C18H14Cl2N4O/c19-12-6-5-11(14(20)8-12)7-13-9-24(18(25)21-13)10-17-22-15-3-1-2-4-16(15)23-17/h1-6,8-9H,7,10H2,(H,21,25)(H,22,23)
InChIKeyInChI1.03ZHAMKWDXQMODPF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc(CC2=CN(Cc3[nH]c4ccccc4n3)C(=O)N2)c(Cl)c1
SMILESCACTVS3.385Clc1ccc(CC2=CN(Cc3[nH]c4ccccc4n3)C(=O)N2)c(Cl)c1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2c(c1)[nH]c(n2)CN3C=C(NC3=O)Cc4ccc(cc4Cl)Cl
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)[nH]c(n2)CN3C=C(NC3=O)Cc4ccc(cc4Cl)Cl

227344

数据于2024-11-13公开中

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