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A1B9O

Summary
Name:N-[3-(aminomethyl)phenyl]-2-(propan-2-yl)-1H-1,3-benzimidazole-4-carboxamide
Formula:C18 H20 N4 O
Formal charge:0
Formula weight:308.378 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-[3-(aminomethyl)phenyl]-2-(propan-2-yl)-1H-1,3-benzimidazole-4-carboxamide
OpenEye OEToolkits3.1.0.0~{N}-[3-(aminomethyl)phenyl]-2-propan-2-yl-1~{H}-benzimidazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NCc1cc(ccc1)NC(=O)c1cccc2[NH]c(nc12)C(C)C
InChIInChI1.06InChI=1S/C18H20N4O/c1-11(2)17-21-15-8-4-7-14(16(15)22-17)18(23)20-13-6-3-5-12(9-13)10-19/h3-9,11H,10,19H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyInChI1.06YESKCYOWTDUTOG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)c1[nH]c2cccc(C(=O)Nc3cccc(CN)c3)c2n1
SMILESCACTVS3.385CC(C)c1[nH]c2cccc(C(=O)Nc3cccc(CN)c3)c2n1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CC(C)c1[nH]c2cccc(c2n1)C(=O)Nc3cccc(c3)CN
SMILESOpenEye OEToolkits3.1.0.0CC(C)c1[nH]c2cccc(c2n1)C(=O)Nc3cccc(c3)CN

250359

PDB entries from 2026-03-11

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