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A1C6R

Summary
Name:1-[(2S)-2-(benzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
Formula:C18 H16 Cl2 N2 O
Formal charge:0
Formula weight:347.238 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.521-[(2S)-2-(benzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
OpenEye OEToolkits3.1.0.01-[(2~{S})-2-(2,4-dichlorophenyl)-2-phenylmethoxy-ethyl]imidazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Clc1ccc(C(OCc2ccccc2)Cn2ccnc2)c(Cl)c1
InChIInChI1.06InChI=1S/C18H16Cl2N2O/c19-15-6-7-16(17(20)10-15)18(11-22-9-8-21-13-22)23-12-14-4-2-1-3-5-14/h1-10,13,18H,11-12H2/t18-/m1/s1
InChIKeyInChI1.06CSENVQMNWOFZIZ-GOSISDBHSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc([C@@H](Cn2ccnc2)OCc3ccccc3)c(Cl)c1
SMILESCACTVS3.385Clc1ccc([CH](Cn2ccnc2)OCc3ccccc3)c(Cl)c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(cc1)CO[C@H](Cn2ccnc2)c3ccc(cc3Cl)Cl
SMILESOpenEye OEToolkits3.1.0.0c1ccc(cc1)COC(Cn2ccnc2)c3ccc(cc3Cl)Cl

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PDB entries from 2026-07-22

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