1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one

C11H14N2O3S — CID 115591774

IUPAC1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one
SMILESCn1c(=O)n(CCS(C)(=O)=O)c2ccccc21
InChIInChI=1S/C11H14N2O3S/c1-12-9-5-3-4-6-10(9)13(11(12)14)7-8-17(2,15)16/h3-6H,7-8H2,1-2H3
InChIKeyNOXGGUZEIDQQFW-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.38
Rot. Bonds3

About 1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one

1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one (PubChem CID 115591774) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one
PubChem CID115591774
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one
SMILESCn1c(=O)n(CCS(C)(=O)=O)c2ccccc21
InChIInChI=1S/C11H14N2O3S/c1-12-9-5-3-4-6-10(9)13(11(12)14)7-8-17(2,15)16/h3-6H,7-8H2,1-2H3
InChIKeyNOXGGUZEIDQQFW-UHFFFAOYSA-N
XLogP0.38
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one?
The IUPAC name of 1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one (CID 115591774) is 1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one is Cn1c(=O)n(CCS(C)(=O)=O)c2ccccc21.
What is the InChIKey of 1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one?
The InChIKey is NOXGGUZEIDQQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-12-9-5-3-4-6-10(9)13(11(12)14)7-8-17(2,15)16/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one?
1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one has a molecular weight of 254.31 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one is sourced from PubChem (CID 115591774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).