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A1CTN

Summary
Name:4-[2-(2-amino-4-methyl-1H-1,3-benzimidazol-1-yl)acetamido]-N-benzyl-3-chloro-2-methylbenzamide
Formula:C25 H24 Cl N5 O2
Formal charge:0
Formula weight:461.943 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.524-[2-(2-amino-4-methyl-1H-1,3-benzimidazol-1-yl)acetamido]-N-benzyl-3-chloro-2-methylbenzamide
OpenEye OEToolkits3.1.0.04-[2-(2-azanyl-4-methyl-benzimidazol-1-yl)ethanoylamino]-3-chloranyl-2-methyl-~{N}-(phenylmethyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(NCc1ccccc1)c1ccc(NC(=O)Cn2c3cccc(C)c3nc2N)c(Cl)c1C
InChIInChI1.06InChI=1S/C25H24ClN5O2/c1-15-7-6-10-20-23(15)30-25(27)31(20)14-21(32)29-19-12-11-18(16(2)22(19)26)24(33)28-13-17-8-4-3-5-9-17/h3-12H,13-14H2,1-2H3,(H2,27,30)(H,28,33)(H,29,32)
InChIKeyInChI1.06JLEQCAJZZGMRCS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc2n(CC(=O)Nc3ccc(c(C)c3Cl)C(=O)NCc4ccccc4)c(N)nc12
SMILESCACTVS3.385Cc1cccc2n(CC(=O)Nc3ccc(c(C)c3Cl)C(=O)NCc4ccccc4)c(N)nc12
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cccc2c1nc(n2CC(=O)Nc3ccc(c(c3Cl)C)C(=O)NCc4ccccc4)N
SMILESOpenEye OEToolkits3.1.0.0Cc1cccc2c1nc(n2CC(=O)Nc3ccc(c(c3Cl)C)C(=O)NCc4ccccc4)N

251801

PDB entries from 2026-04-08

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