6-(4-methylsulfonylphenyl)-1H-benzimidazole

C14H12N2O2S — CID 39830614

IUPAC6-(4-methylsulfonylphenyl)-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc(-c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C14H12N2O2S/c1-19(17,18)12-5-2-10(3-6-12)11-4-7-13-14(8-11)16-9-15-13/h2-9H,1H3,(H,15,16)
InChIKeyYBHBQDJVBZJIII-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.63
Rot. Bonds2

About 6-(4-methylsulfonylphenyl)-1H-benzimidazole

6-(4-methylsulfonylphenyl)-1H-benzimidazole (PubChem CID 39830614) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 6-(4-methylsulfonylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(4-methylsulfonylphenyl)-1H-benzimidazole
PubChem CID39830614
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name6-(4-methylsulfonylphenyl)-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc(-c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C14H12N2O2S/c1-19(17,18)12-5-2-10(3-6-12)11-4-7-13-14(8-11)16-9-15-13/h2-9H,1H3,(H,15,16)
InChIKeyYBHBQDJVBZJIII-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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Related Compounds

N-[4-(3H-benzimidazol-5-yl)phenyl]methanesulfonamide
CID 39819464
2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 166385617
N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 68763718
3H-benzimidazol-5-yl-dimethyl-sulfanyl-λ4-sulfane
CID 91169842
amino 3H-benzimidazole-5-sulfonate
CID 57129072
4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one
CID 141171310
6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole
CID 175227051
potassium;3H-benzimidazole-5-sulfonic acid;hydride
CID 173083213
6-(4-methylsulfonylphenyl)quinoline
CID 72888822
5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide
CID 175533008
3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide
CID 175533007
4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 50961209

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylphenyl)-1H-benzimidazole?
The IUPAC name of 6-(4-methylsulfonylphenyl)-1H-benzimidazole (CID 39830614) is 6-(4-methylsulfonylphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-(4-methylsulfonylphenyl)-1H-benzimidazole?
The canonical SMILES for 6-(4-methylsulfonylphenyl)-1H-benzimidazole is CS(=O)(=O)c1ccc(-c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of 6-(4-methylsulfonylphenyl)-1H-benzimidazole?
The InChIKey is YBHBQDJVBZJIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-19(17,18)12-5-2-10(3-6-12)11-4-7-13-14(8-11)16-9-15-13/h2-9H,1H3,(H,15,16).
What are the key properties of 6-(4-methylsulfonylphenyl)-1H-benzimidazole?
6-(4-methylsulfonylphenyl)-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-(4-methylsulfonylphenyl)-1H-benzimidazole is sourced from PubChem (CID 39830614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).