2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone

C17H16N2OS — CID 115782583

IUPAC2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)Cc2nc3ccccc3n2C)cc1
InChIInChI=1S/C17H16N2OS/c1-19-15-6-4-3-5-14(15)18-17(19)11-16(20)12-7-9-13(21-2)10-8-12/h3-10H,11H2,1-2H3
InChIKeyLPYMTSUHWOUPTN-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.72
Rot. Bonds4

About 2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone

2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 115782583) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
PubChem CID115782583
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)Cc2nc3ccccc3n2C)cc1
InChIInChI=1S/C17H16N2OS/c1-19-15-6-4-3-5-14(15)18-17(19)11-16(20)12-7-9-13(21-2)10-8-12/h3-10H,11H2,1-2H3
InChIKeyLPYMTSUHWOUPTN-UHFFFAOYSA-N
XLogP3.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116548567
2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone
CID 79754091
1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116597370
2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone
CID 82896028
1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79755499
1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 107957238
1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79754011
1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone
CID 79754172
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79754349

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone (CID 115782583) is 2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone is CSc1ccc(C(=O)Cc2nc3ccccc3n2C)cc1.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is LPYMTSUHWOUPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-19-15-6-4-3-5-14(15)18-17(19)11-16(20)12-7-9-13(21-2)10-8-12/h3-10H,11H2,1-2H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone?
2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 296.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 115782583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).