2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole

C15H14N2S — CID 170127062

IUPAC2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole
SMILESCc1ccc(Sc2ccc3nc(C)[nH]c3c2)cc1
InChIInChI=1S/C15H14N2S/c1-10-3-5-12(6-4-10)18-13-7-8-14-15(9-13)17-11(2)16-14/h3-9H,1-2H3,(H,16,17)
InChIKeyJJWDANPZMTULBY-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.33
Rot. Bonds2

About 2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole

2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole (PubChem CID 170127062) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole
PubChem CID170127062
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole
SMILESCc1ccc(Sc2ccc3nc(C)[nH]c3c2)cc1
InChIInChI=1S/C15H14N2S/c1-10-3-5-12(6-4-10)18-13-7-8-14-15(9-13)17-11(2)16-14/h3-9H,1-2H3,(H,16,17)
InChIKeyJJWDANPZMTULBY-UHFFFAOYSA-N
XLogP4.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine
CID 156727544
6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole
CID 71321593
2-methyl-3H-benzimidazole-5-thiol
CID 43154899
3-[(2-methyl-3H-benzimidazol-5-yl)sulfanyl]propanoic acid
CID 116852883
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
2,2-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)sulfanyl]propanoic acid
CID 116853054
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 116856632
2,6-dimethyl-3H-benzo[f]benzimidazole;ethane
CID 144506658
(2-methyl-3H-benzimidazol-5-yl)boronic acid
CID 119084623

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole?
The IUPAC name of 2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole (CID 170127062) is 2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole.
What is the SMILES notation for 2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole?
The canonical SMILES for 2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole is Cc1ccc(Sc2ccc3nc(C)[nH]c3c2)cc1.
What is the InChIKey of 2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole?
The InChIKey is JJWDANPZMTULBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-10-3-5-12(6-4-10)18-13-7-8-14-15(9-13)17-11(2)16-14/h3-9H,1-2H3,(H,16,17).
What are the key properties of 2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole?
2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole has a molecular weight of 254.36 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole is sourced from PubChem (CID 170127062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).