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A1B8R

Summary
Name:N-(2,3-dihydro-1H-isoindol-5-yl)-2-(trifluoromethyl)-1H-1,3-benzimidazole-7-carboxamide
Formula:C17 H13 F3 N4 O
Formal charge:0
Formula weight:346.307 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-(2,3-dihydro-1H-isoindol-5-yl)-2-(trifluoromethyl)-1H-1,3-benzimidazole-7-carboxamide
OpenEye OEToolkits3.1.0.0~{N}-(2,3-dihydro-1~{H}-isoindol-5-yl)-2-(trifluoromethyl)-3~{H}-benzimidazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52FC(F)(F)c1nc2cccc(c2[NH]1)C(=O)Nc1ccc2CNCc2c1
InChIInChI1.06InChI=1S/C17H13F3N4O/c18-17(19,20)16-23-13-3-1-2-12(14(13)24-16)15(25)22-11-5-4-9-7-21-8-10(9)6-11/h1-6,21H,7-8H2,(H,22,25)(H,23,24)
InChIKeyInChI1.06MCVXKGRMYLXFIV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)c1[nH]c2c(cccc2C(=O)Nc3ccc4CNCc4c3)n1
SMILESCACTVS3.385FC(F)(F)c1[nH]c2c(cccc2C(=O)Nc3ccc4CNCc4c3)n1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c2c(c1)nc([nH]2)C(F)(F)F)C(=O)Nc3ccc4c(c3)CNC4
SMILESOpenEye OEToolkits3.1.0.0c1cc(c2c(c1)nc([nH]2)C(F)(F)F)C(=O)Nc3ccc4c(c3)CNC4

250835

PDB entries from 2026-03-18

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