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RU9

Summary
Name:2-(4-(3-HYDROXYPHENOXY)PHENYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE
Formula:C20 H15 N3 O3
Formal charge:0
Formula weight:345.351 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[4-(3-hydroxyphenoxy)phenyl]-1H-benzimidazole-6-carboxamide
OpenEye OEToolkits1.9.22-[4-(3-oxidanylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c3ccc4nc(c2ccc(Oc1cccc(O)c1)cc2)nc4c3)N
InChIInChI1.03InChI=1S/C20H15N3O3/c21-19(25)13-6-9-17-18(10-13)23-20(22-17)12-4-7-15(8-5-12)26-16-3-1-2-14(24)11-16/h1-11,24H,(H2,21,25)(H,22,23)
InChIKeyInChI1.03PMCFOCQQFLSWEU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1ccc2nc([nH]c2c1)c3ccc(Oc4cccc(O)c4)cc3
SMILESCACTVS3.385NC(=O)c1ccc2nc([nH]c2c1)c3ccc(Oc4cccc(O)c4)cc3
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(cc(c1)Oc2ccc(cc2)c3[nH]c4cc(ccc4n3)C(=O)N)O
SMILESOpenEye OEToolkits1.9.2c1cc(cc(c1)Oc2ccc(cc2)c3[nH]c4cc(ccc4n3)C(=O)N)O

219140

PDB entries from 2024-05-01

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