1-methyl-2-(2-methylsulfanylphenyl)benzimidazole

C15H14N2S — CID 19866681

IUPAC1-methyl-2-(2-methylsulfanylphenyl)benzimidazole
SMILESCSc1ccccc1-c1nc2ccccc2n1C
InChIInChI=1S/C15H14N2S/c1-17-13-9-5-4-8-12(13)16-15(17)11-7-3-6-10-14(11)18-2/h3-10H,1-2H3
InChIKeyPULRFFHFGUNVLO-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.96
Rot. Bonds2

About 1-methyl-2-(2-methylsulfanylphenyl)benzimidazole

1-methyl-2-(2-methylsulfanylphenyl)benzimidazole (PubChem CID 19866681) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-methyl-2-(2-methylsulfanylphenyl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-(2-methylsulfanylphenyl)benzimidazole
PubChem CID19866681
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name1-methyl-2-(2-methylsulfanylphenyl)benzimidazole
SMILESCSc1ccccc1-c1nc2ccccc2n1C
InChIInChI=1S/C15H14N2S/c1-17-13-9-5-4-8-12(13)16-15(17)11-7-3-6-10-14(11)18-2/h3-10H,1-2H3
InChIKeyPULRFFHFGUNVLO-UHFFFAOYSA-N
XLogP3.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(2-bromo-5-fluoro-4-pyridinyl)-1-methylbenzimidazole
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2-[2-(1-methylbenzimidazol-2-yl)phenoxy]ethanol
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3,4-dimethyl-5-(1-methylbenzimidazol-2-yl)aniline
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2-(5-chloro-2-methylsulfanylpyrimidin-4-yl)-1-methylbenzimidazole
CID 67970615
1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole
CID 8005690
4-bromo-3-(1-methylbenzimidazol-2-yl)aniline
CID 113281116
2-(4-iodophenyl)-1-methylbenzimidazole
CID 23094064
2-(4-chlorophenyl)-1-methylbenzimidazole
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2-(2,6-dibromophenyl)-1-methylbenzimidazole
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylsulfanylphenyl)benzimidazole?
The IUPAC name of 1-methyl-2-(2-methylsulfanylphenyl)benzimidazole (CID 19866681) is 1-methyl-2-(2-methylsulfanylphenyl)benzimidazole.
What is the SMILES notation for 1-methyl-2-(2-methylsulfanylphenyl)benzimidazole?
The canonical SMILES for 1-methyl-2-(2-methylsulfanylphenyl)benzimidazole is CSc1ccccc1-c1nc2ccccc2n1C.
What is the InChIKey of 1-methyl-2-(2-methylsulfanylphenyl)benzimidazole?
The InChIKey is PULRFFHFGUNVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-17-13-9-5-4-8-12(13)16-15(17)11-7-3-6-10-14(11)18-2/h3-10H,1-2H3.
What are the key properties of 1-methyl-2-(2-methylsulfanylphenyl)benzimidazole?
1-methyl-2-(2-methylsulfanylphenyl)benzimidazole has a molecular weight of 254.36 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylsulfanylphenyl)benzimidazole is sourced from PubChem (CID 19866681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).