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A1CTR

Summary
Name:2-(2-amino-4-methyl-1H-1,3-benzimidazol-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
Formula:C16 H13 Cl3 N4 O
Formal charge:0
Formula weight:383.66 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Clc1cc(Cl)cc(Cl)c1NC(=O)Cn1c2cccc(C)c2nc1N
InChIInChI1.06InChI=1S/C16H13Cl3N4O/c1-8-3-2-4-12-14(8)22-16(20)23(12)7-13(24)21-15-10(18)5-9(17)6-11(15)19/h2-6H,7H2,1H3,(H2,20,22)(H,21,24)
InChIKeyInChI1.06ZTQLJQKXRDDICG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc2n(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)c(N)nc12
SMILESCACTVS3.385Cc1cccc2n(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)c(N)nc12
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cccc2c1nc(n2CC(=O)Nc3c(cc(cc3Cl)Cl)Cl)N
SMILESOpenEye OEToolkits3.1.0.0Cc1cccc2c1nc(n2CC(=O)Nc3c(cc(cc3Cl)Cl)Cl)N

251801

PDB entries from 2026-04-08

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