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YH0

Summary
Name:2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide
Formula:C24 H20 N6 O2
Formal charge:0
Formula weight:424.455 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide
OpenEye OEToolkits2.0.72-[4-[2-(1~{H}-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-3~{H}-benzimidazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NC(=O)c1cccc2nc([NH]c12)c1ccc(cc1)C(=O)NCCc1nc2ccccc2[NH]1
InChIInChI1.06InChI=1S/C24H20N6O2/c25-22(31)16-4-3-7-19-21(16)30-23(29-19)14-8-10-15(11-9-14)24(32)26-13-12-20-27-17-5-1-2-6-18(17)28-20/h1-11H,12-13H2,(H2,25,31)(H,26,32)(H,27,28)(H,29,30)
InChIKeyInChI1.06HKMBTWRJKUMZJX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1cccc2nc([nH]c12)c3ccc(cc3)C(=O)NCCc4[nH]c5ccccc5n4
SMILESCACTVS3.385NC(=O)c1cccc2nc([nH]c12)c3ccc(cc3)C(=O)NCCc4[nH]c5ccccc5n4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)[nH]c(n2)CCNC(=O)c3ccc(cc3)c4[nH]c5c(cccc5n4)C(=O)N
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)[nH]c(n2)CCNC(=O)c3ccc(cc3)c4[nH]c5c(cccc5n4)C(=O)N

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PDB entries from 2024-06-12

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