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JZK

Summary
Name:2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1H-benzimidazole-5-carboxamide
Formula:C22 H25 Cl N4 O
Formal charge:0
Formula weight:396.913 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.022-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1H-benzimidazole-5-carboxamide
OpenEye OEToolkits1.6.12-[(2-chlorophenyl)methylamino]-1-(cyclohexylmethyl)benzimidazole-5-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02Clc1ccccc1CNc3nc2cc(ccc2n3CC4CCCCC4)C(=O)N
SMILES_CANONICALCACTVS3.352NC(=O)c1ccc2n(CC3CCCCC3)c(NCc4ccccc4Cl)nc2c1
SMILESCACTVS3.352NC(=O)c1ccc2n(CC3CCCCC3)c(NCc4ccccc4Cl)nc2c1
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(c(c1)CNc2nc3cc(ccc3n2CC4CCCCC4)C(=O)N)Cl
SMILESOpenEye OEToolkits1.7.0c1ccc(c(c1)CNc2nc3cc(ccc3n2CC4CCCCC4)C(=O)N)Cl
InChIInChI1.03InChI=1S/C22H25ClN4O/c23-18-9-5-4-8-17(18)13-25-22-26-19-12-16(21(24)28)10-11-20(19)27(22)14-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13-14H2,(H2,24,28)(H,25,26)
InChIKeyInChI1.03DGENNQRBHYDWGG-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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