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SummaryGeometryRelated PDB entries

I18

Summary
Name:(4S,5R)-4,5-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-imidazole
Formula:C16 H14 Cl2 N2
Formal charge:0
Formula weight:305.202 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4S,5R)-4,5-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-imidazole
OpenEye OEToolkits1.7.6(4S,5R)-4,5-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-imidazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc(cc1)C3N=C(NC3c2ccc(Cl)cc2)C
InChIInChI1.03InChI=1S/C16H14Cl2N2/c1-10-19-15(11-2-6-13(17)7-3-11)16(20-10)12-4-8-14(18)9-5-12/h2-9,15-16H,1H3,(H,19,20)/t15-,16+
InChIKeyInChI1.03VLUCXJXOZXEFPA-IYBDPMFKSA-N
SMILES_CANONICALCACTVS3.370CC1=N[C@H]([C@H](N1)c2ccc(Cl)cc2)c3ccc(Cl)cc3
SMILESCACTVS3.370CC1=N[CH]([CH](N1)c2ccc(Cl)cc2)c3ccc(Cl)cc3
SMILES_CANONICALOpenEye OEToolkits1.7.6CC1=N[C@H]([C@H](N1)c2ccc(cc2)Cl)c3ccc(cc3)Cl
SMILESOpenEye OEToolkits1.7.6CC1=NC(C(N1)c2ccc(cc2)Cl)c3ccc(cc3)Cl

225946

PDB entries from 2024-10-09

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