6-methylsulfonyl-2-phenyl-1H-benzimidazole

C14H12N2O2S — CID 20614939

IUPAC6-methylsulfonyl-2-phenyl-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C14H12N2O2S/c1-19(17,18)11-7-8-12-13(9-11)16-14(15-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16)
InChIKeyQRIOGHDSSIVIOT-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.63
Rot. Bonds2

About 6-methylsulfonyl-2-phenyl-1H-benzimidazole

6-methylsulfonyl-2-phenyl-1H-benzimidazole (PubChem CID 20614939) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 6-methylsulfonyl-2-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name6-methylsulfonyl-2-phenyl-1H-benzimidazole
PubChem CID20614939
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name6-methylsulfonyl-2-phenyl-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C14H12N2O2S/c1-19(17,18)11-7-8-12-13(9-11)16-14(15-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16)
InChIKeyQRIOGHDSSIVIOT-UHFFFAOYSA-N
XLogP2.63
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-2-phenyl-1H-benzimidazole?
The IUPAC name of 6-methylsulfonyl-2-phenyl-1H-benzimidazole (CID 20614939) is 6-methylsulfonyl-2-phenyl-1H-benzimidazole.
What is the SMILES notation for 6-methylsulfonyl-2-phenyl-1H-benzimidazole?
The canonical SMILES for 6-methylsulfonyl-2-phenyl-1H-benzimidazole is CS(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 6-methylsulfonyl-2-phenyl-1H-benzimidazole?
The InChIKey is QRIOGHDSSIVIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-19(17,18)11-7-8-12-13(9-11)16-14(15-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16).
What are the key properties of 6-methylsulfonyl-2-phenyl-1H-benzimidazole?
6-methylsulfonyl-2-phenyl-1H-benzimidazole has a molecular weight of 272.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-2-phenyl-1H-benzimidazole is sourced from PubChem (CID 20614939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).