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II9

Summary
Name:N-methyl-6-[(6-methylpyridine-2-carbonyl)amino]-2-phenyl-1H-benzimidazole-5-carboxamide
Formula:C22 H19 N5 O2
Formal charge:0
Formula weight:385.419 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-methyl-6-[(6-methylpyridine-2-carbonyl)amino]-2-phenyl-1H-benzimidazole-5-carboxamide
OpenEye OEToolkits2.0.7~{N}-methyl-6-[(6-methylpyridin-2-yl)carbonylamino]-2-phenyl-1~{H}-benzimidazole-5-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1cccc(n1)C(=O)Nc1cc2[NH]c(nc2cc1C(=O)NC)c1ccccc1
InChIInChI1.03InChI=1S/C22H19N5O2/c1-13-7-6-10-16(24-13)22(29)27-17-12-19-18(11-15(17)21(28)23-2)25-20(26-19)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,23,28)(H,25,26)(H,27,29)
InChIKeyInChI1.03FEZUIXBPOZHUAQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNC(=O)c1cc2nc([nH]c2cc1NC(=O)c3cccc(C)n3)c4ccccc4
SMILESCACTVS3.385CNC(=O)c1cc2nc([nH]c2cc1NC(=O)c3cccc(C)n3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cccc(n1)C(=O)Nc2cc3c(cc2C(=O)NC)nc([nH]3)c4ccccc4
SMILESOpenEye OEToolkits2.0.7Cc1cccc(n1)C(=O)Nc2cc3c(cc2C(=O)NC)nc([nH]3)c4ccccc4

221716

PDB entries from 2024-06-26

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