2-(methylsulfonylmethyl)-1H-benzimidazole

C9H10N2O2S — CID 7063878

IUPAC2-(methylsulfonylmethyl)-1H-benzimidazole
SMILESCS(=O)(=O)Cc1nc2ccccc2[nH]1
InChIInChI=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)
InChIKeyWCWTYTQSZZWNEW-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.11
Rot. Bonds2

About 2-(methylsulfonylmethyl)-1H-benzimidazole

2-(methylsulfonylmethyl)-1H-benzimidazole (PubChem CID 7063878) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-(methylsulfonylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(methylsulfonylmethyl)-1H-benzimidazole
PubChem CID7063878
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name2-(methylsulfonylmethyl)-1H-benzimidazole
SMILESCS(=O)(=O)Cc1nc2ccccc2[nH]1
InChIInChI=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)
InChIKeyWCWTYTQSZZWNEW-UHFFFAOYSA-N
XLogP1.11
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfonylmethyl)-1H-benzimidazole?
The IUPAC name of 2-(methylsulfonylmethyl)-1H-benzimidazole (CID 7063878) is 2-(methylsulfonylmethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(methylsulfonylmethyl)-1H-benzimidazole?
The canonical SMILES for 2-(methylsulfonylmethyl)-1H-benzimidazole is CS(=O)(=O)Cc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(methylsulfonylmethyl)-1H-benzimidazole?
The InChIKey is WCWTYTQSZZWNEW-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 2-(methylsulfonylmethyl)-1H-benzimidazole?
2-(methylsulfonylmethyl)-1H-benzimidazole has a molecular weight of 210.26 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfonylmethyl)-1H-benzimidazole is sourced from PubChem (CID 7063878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).