T6J

2-[(methylsulfonyl)methyl]-1H-benzimidazole

Created: 2020-03-16
Last modified:  2020-03-25

Find related ligands:

Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count25
Aromatic Bond Count10
2D diagram of T6J

Chemical Component Summary

Name2-[(methylsulfonyl)methyl]-1H-benzimidazole
Systematic Name (OpenEye OEToolkits)2-(methylsulfonylmethyl)-1~{H}-benzimidazole
FormulaC9 H10 N2 O2 S
Molecular Weight210.253
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01n1c(nc2ccccc12)CS(C)(=O)=O
SMILESCACTVS3.385C[S](=O)(=O)Cc1[nH]c2ccccc2n1
SMILESOpenEye OEToolkits2.0.7CS(=O)(=O)Cc1[nH]c2ccccc2n1
Canonical SMILESCACTVS3.385 C[S](=O)(=O)Cc1[nH]c2ccccc2n1
Canonical SMILESOpenEye OEToolkits2.0.7 CS(=O)(=O)Cc1[nH]c2ccccc2n1
InChIInChI1.03 InChI=1S/C9H10N2O2S/c1-14(12,13)6-9-10-7-4-2-3-5-8(7)11-9/h2-5H,6H2,1H3,(H,10,11)
InChIKeyInChI1.03 WCWTYTQSZZWNEW-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 7063878