Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1C8M

Summary
Name:(1M)-6-chloro-1-(2-chlorophenyl)-1H-1,3-benzimidazole-2-sulfonic acid
Formula:C13 H8 Cl2 N2 O3 S
Formal charge:0
Formula weight:343.185 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(1M)-6-chloro-1-(2-chlorophenyl)-1H-1,3-benzimidazole-2-sulfonic acid
OpenEye OEToolkits3.1.0.06-chloranyl-1-(2-chlorophenyl)benzimidazole-2-sulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=S(=O)(O)c1nc2ccc(Cl)cc2n1c1ccccc1Cl
InChIInChI1.06InChI=1S/C13H8Cl2N2O3S/c14-8-5-6-10-12(7-8)17(13(16-10)21(18,19)20)11-4-2-1-3-9(11)15/h1-7H,(H,18,19,20)
InChIKeyInChI1.06QRSICUXGAVJLOV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O[S](=O)(=O)c1nc2ccc(Cl)cc2n1c3ccccc3Cl
SMILESCACTVS3.385O[S](=O)(=O)c1nc2ccc(Cl)cc2n1c3ccccc3Cl
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(c(c1)n2c3cc(ccc3nc2S(=O)(=O)O)Cl)Cl
SMILESOpenEye OEToolkits3.1.0.0c1ccc(c(c1)n2c3cc(ccc3nc2S(=O)(=O)O)Cl)Cl

259351

PDB entries from 2026-09-09

PDB statisticsPDBj update infoContact PDBjnumon