1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone

C17H15FN2O2S — CID 4524981

IUPAC1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2nc3ccccc3n2C)c(F)c1
InChIInChI=1S/C17H15FN2O2S/c1-20-15-6-4-3-5-14(15)19-17(20)23-10-16(21)12-8-7-11(22-2)9-13(12)18/h3-9H,10H2,1-2H3
InChIKeyOJMNCVLVAORFHB-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.70
Rot. Bonds5

About 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone

1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone (PubChem CID 4524981) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
PubChem CID4524981
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2nc3ccccc3n2C)c(F)c1
InChIInChI=1S/C17H15FN2O2S/c1-20-15-6-4-3-5-14(15)19-17(20)23-10-16(21)12-8-7-11(22-2)9-13(12)18/h3-9H,10H2,1-2H3
InChIKeyOJMNCVLVAORFHB-UHFFFAOYSA-N
XLogP3.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone
CID 39006163
2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103397259
3-(2,5-dimethoxyphenyl)-2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 2559699
N-(4-methoxyphenyl)-2-[methyl-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]acetamide
CID 8002588
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 13157327
1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43218865
1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 17423595
2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-(3-nitrophenyl)ethanone
CID 3754402
1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 3655188
1-(2,5-dimethoxyphenyl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 7886337
2-[2-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 3538467
N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 25351275

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone (CID 4524981) is 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone is COc1ccc(C(=O)CSc2nc3ccccc3n2C)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone?
The InChIKey is OJMNCVLVAORFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-20-15-6-4-3-5-14(15)19-17(20)23-10-16(21)12-8-7-11(22-2)9-13(12)18/h3-9H,10H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone?
1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone has a molecular weight of 330.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone is sourced from PubChem (CID 4524981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).