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NU3

Summary
Name:2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide
Formula:C14 H11 N3 O2
Formal charge:0
Formula weight:253.256 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide
OpenEye OEToolkits1.7.62-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c3cccc2c3nc(c1ccc(O)cc1)n2)N
InChIInChI1.03InChI=1S/C14H11N3O2/c15-13(19)10-2-1-3-11-12(10)17-14(16-11)8-4-6-9(18)7-5-8/h1-7,18H,(H2,15,19)(H,16,17)
InChIKeyInChI1.03KOUGHMOSYJCJLE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1cccc2[nH]c(nc12)c3ccc(O)cc3
SMILESCACTVS3.385NC(=O)c1cccc2[nH]c(nc12)c3ccc(O)cc3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(c2c(c1)[nH]c(n2)c3ccc(cc3)O)C(=O)N
SMILESOpenEye OEToolkits1.7.6c1cc(c2c(c1)[nH]c(n2)c3ccc(cc3)O)C(=O)N

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PDB entries from 2024-08-07

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