6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole

C15H14N2O2S — CID 60979057

IUPAC6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc(S(C)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C15H14N2O2S/c1-10-3-8-13-14(9-10)17-15(16-13)11-4-6-12(7-5-11)20(2,18)19/h3-9H,1-2H3,(H,16,17)
InChIKeyRVKPBJAGTGPBFE-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.94
Rot. Bonds2

About 6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole

6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole (PubChem CID 60979057) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
PubChem CID60979057
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc(S(C)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C15H14N2O2S/c1-10-3-8-13-14(9-10)17-15(16-13)11-4-6-12(7-5-11)20(2,18)19/h3-9H,1-2H3,(H,16,17)
InChIKeyRVKPBJAGTGPBFE-UHFFFAOYSA-N
XLogP2.94
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62067790
4-(6-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 62069305
4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
CID 103597241
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
2-methyl-5-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 62067932
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 100580925
2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 166385617
5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 79599219
2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59482293
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazol-2-amine
CID 82564341
4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 4192275

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole?
The IUPAC name of 6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole (CID 60979057) is 6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole is Cc1ccc2nc(-c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole?
The InChIKey is RVKPBJAGTGPBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10-3-8-13-14(9-10)17-15(16-13)11-4-6-12(7-5-11)20(2,18)19/h3-9H,1-2H3,(H,16,17).
What are the key properties of 6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole?
6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole has a molecular weight of 286.36 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole is sourced from PubChem (CID 60979057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).