1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole

C12H10N4O2S — CID 15549640

IUPAC1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole
SMILESCS(=O)(=O)c1nccc(-n2cnc3ccccc32)n1
InChIInChI=1S/C12H10N4O2S/c1-19(17,18)12-13-7-6-11(15-12)16-8-14-9-4-2-3-5-10(9)16/h2-8H,1H3
InChIKeyIDMXDTYMWWNUGS-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.22
Rot. Bonds2

About 1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole

1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole (PubChem CID 15549640) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole.

Molecular Properties

Compound Name1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole
PubChem CID15549640
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole
SMILESCS(=O)(=O)c1nccc(-n2cnc3ccccc32)n1
InChIInChI=1S/C12H10N4O2S/c1-19(17,18)12-13-7-6-11(15-12)16-8-14-9-4-2-3-5-10(9)16/h2-8H,1H3
InChIKeyIDMXDTYMWWNUGS-UHFFFAOYSA-N
XLogP1.22
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole?
The IUPAC name of 1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole (CID 15549640) is 1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole.
What is the SMILES notation for 1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole?
The canonical SMILES for 1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole is CS(=O)(=O)c1nccc(-n2cnc3ccccc32)n1.
What is the InChIKey of 1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole?
The InChIKey is IDMXDTYMWWNUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-19(17,18)12-13-7-6-11(15-12)16-8-14-9-4-2-3-5-10(9)16/h2-8H,1H3.
What are the key properties of 1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole?
1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole has a molecular weight of 274.31 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole is sourced from PubChem (CID 15549640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).