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SummaryGeometryRelated PDB entries

A1A2D

Summary
Name:2-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)(methyl)carbamate
Formula:C21 H18 F7 N3 O4
Formal charge:0
Formula weight:509.374 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)(methyl)carbamate
OpenEye OEToolkits2.0.7[2-[3-(2-hydroxyethyl)-2-oxidanylidene-imidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] ~{N}-(4-fluorophenyl)-~{N}-methyl-carbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OCCN1CCN(c2cc(cc(c2OC(=O)N(C)c2ccc(F)cc2)C(F)(F)F)C(F)(F)F)C1=O
InChIInChI1.06InChI=1S/C21H18F7N3O4/c1-29(14-4-2-13(22)3-5-14)19(34)35-17-15(21(26,27)28)10-12(20(23,24)25)11-16(17)31-7-6-30(8-9-32)18(31)33/h2-5,10-11,32H,6-9H2,1H3
InChIKeyInChI1.06SMVCNKJTRUVRLZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C(=O)Oc1c(cc(cc1C(F)(F)F)C(F)(F)F)N2CCN(CCO)C2=O)c3ccc(F)cc3
SMILESCACTVS3.385CN(C(=O)Oc1c(cc(cc1C(F)(F)F)C(F)(F)F)N2CCN(CCO)C2=O)c3ccc(F)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(c1ccc(cc1)F)C(=O)Oc2c(cc(cc2N3CCN(C3=O)CCO)C(F)(F)F)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7CN(c1ccc(cc1)F)C(=O)Oc2c(cc(cc2N3CCN(C3=O)CCO)C(F)(F)F)C(F)(F)F

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PDB entries from 2026-03-11

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