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A1BNX

Summary
Name:N'-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea
Formula:C24 H18 Cl F3 N4 O2
Formal charge:0
Formula weight:486.874 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N'-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea
OpenEye OEToolkits3.1.0.03-(2-chlorophenyl)-1-[(3-hydroxyphenyl)methyl]-1-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Clc1ccccc1NC(=O)N(Cc1cccc(O)c1)c1cc(ccc1n1ccnc1)C(F)(F)F
InChIInChI1.06InChI=1S/C24H18ClF3N4O2/c25-19-6-1-2-7-20(19)30-23(34)32(14-16-4-3-5-18(33)12-16)22-13-17(24(26,27)28)8-9-21(22)31-11-10-29-15-31/h1-13,15,33H,14H2,(H,30,34)
InChIKeyInChI1.06VZCCVRYFCXBWQT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cccc(CN(C(=O)Nc2ccccc2Cl)c3cc(ccc3n4ccnc4)C(F)(F)F)c1
SMILESCACTVS3.385Oc1cccc(CN(C(=O)Nc2ccccc2Cl)c3cc(ccc3n4ccnc4)C(F)(F)F)c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(c(c1)NC(=O)N(Cc2cccc(c2)O)c3cc(ccc3n4ccnc4)C(F)(F)F)Cl
SMILESOpenEye OEToolkits3.1.0.0c1ccc(c(c1)NC(=O)N(Cc2cccc(c2)O)c3cc(ccc3n4ccnc4)C(F)(F)F)Cl

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PDB entries from 2026-02-11

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