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A1CTQ

Summary
Name:2-(2-amino-5,6-dimethyl-1H-1,3-benzimidazol-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
Formula:C17 H15 Cl3 N4 O
Formal charge:0
Formula weight:397.686 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.522-(2-amino-5,6-dimethyl-1H-1,3-benzimidazol-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
OpenEye OEToolkits3.1.0.02-(2-azanyl-5,6-dimethyl-benzimidazol-1-yl)-~{N}-[2,4,6-tris(chloranyl)phenyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Clc1cc(Cl)cc(Cl)c1NC(=O)Cn1c2cc(C)c(C)cc2nc1N
InChIInChI1.06InChI=1S/C17H15Cl3N4O/c1-8-3-13-14(4-9(8)2)24(17(21)22-13)7-15(25)23-16-11(19)5-10(18)6-12(16)20/h3-6H,7H2,1-2H3,(H2,21,22)(H,23,25)
InChIKeyInChI1.06CETPYNNKFGMHKO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc2nc(N)n(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)c2cc1C
SMILESCACTVS3.385Cc1cc2nc(N)n(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)c2cc1C
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cc2c(cc1C)n(c(n2)N)CC(=O)Nc3c(cc(cc3Cl)Cl)Cl
SMILESOpenEye OEToolkits3.1.0.0Cc1cc2c(cc1C)n(c(n2)N)CC(=O)Nc3c(cc(cc3Cl)Cl)Cl

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PDB entries from 2026-04-08

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