2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone

C16H14N2O2S — CID 914504

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H14N2O2S/c1-20-12-8-6-11(7-9-12)15(19)10-21-16-17-13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyFPGBMTGFXJAICB-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.55
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone

2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone (PubChem CID 914504) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone
PubChem CID914504
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H14N2O2S/c1-20-12-8-6-11(7-9-12)15(19)10-21-16-17-13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyFPGBMTGFXJAICB-UHFFFAOYSA-N
XLogP3.55
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-((5-methoxy-1H-benzo(d)imidazol-2-yl)thio)acetamido)benzoate
CID 1002773
N-(1H-benzimidazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide
CID 2536883
N-(1H-benzimidazol-2-yl)-2-methoxybenzamide
CID 854418
N-1H-Benzimidazol-2-yl-4-methoxybenzamide
CID 2081294
2-(benzylsulfanyl)-6-methoxy-1H-1,3-benzodiazole
CID 4384047
2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-
CID 5469980
Nnc 92-1687
CID 4206177
1-(2,4-dihydroxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 2094324
N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)benzamide
CID 2583265
N-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide
CID 2583506
1-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone
CID 3999131
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 16246284

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone (CID 914504) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone?
The InChIKey is FPGBMTGFXJAICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-20-12-8-6-11(7-9-12)15(19)10-21-16-17-13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone has a molecular weight of 298.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 914504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).