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AGX

Summary
Name:(1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate
Formula:C16 H13 Cl2 N3 O2
Formal charge:0
Formula weight:350.199 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.02(1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate
OpenEye OEToolkits1.6.1[(1S)-1-(1H-benzimidazol-2-yl)ethyl] N-(3,4-dichlorophenyl)carbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02Clc1ccc(cc1Cl)NC(=O)OC(c3nc2ccccc2n3)C
SMILES_CANONICALCACTVS3.352C[C@H](OC(=O)Nc1ccc(Cl)c(Cl)c1)c2[nH]c3ccccc3n2
SMILESCACTVS3.352C[CH](OC(=O)Nc1ccc(Cl)c(Cl)c1)c2[nH]c3ccccc3n2
SMILES_CANONICALOpenEye OEToolkits1.7.0C[C@@H](c1[nH]c2ccccc2n1)OC(=O)Nc3ccc(c(c3)Cl)Cl
SMILESOpenEye OEToolkits1.7.0CC(c1[nH]c2ccccc2n1)OC(=O)Nc3ccc(c(c3)Cl)Cl
InChIInChI1.03InChI=1S/C16H13Cl2N3O2/c1-9(15-20-13-4-2-3-5-14(13)21-15)23-16(22)19-10-6-7-11(17)12(18)8-10/h2-9H,1H3,(H,19,22)(H,20,21)/t9-/m0/s1
InChIKeyInChI1.03MVMZWHAHBIJEDT-VIFPVBQESA-N

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PDB entries from 2024-07-24

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