1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one

C12H11FN2OS — CID 103705487

IUPAC1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one
SMILESCC(Sc1ncc[nH]1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H11FN2OS/c1-8(17-12-14-6-7-15-12)11(16)9-2-4-10(13)5-3-9/h2-8H,1H3,(H,14,15)
InChIKeyLTZOTHZVPYGJGK-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.91
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one

1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one (PubChem CID 103705487) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one
PubChem CID103705487
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one
SMILESCC(Sc1ncc[nH]1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H11FN2OS/c1-8(17-12-14-6-7-15-12)11(16)9-2-4-10(13)5-3-9/h2-8H,1H3,(H,14,15)
InChIKeyLTZOTHZVPYGJGK-UHFFFAOYSA-N
XLogP2.91
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one
CID 113244398
(2S)-1-(4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropan-1-one
CID 93040180
(2R)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one
CID 8706618
1-(2,5-dimethylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one
CID 103705523
2-(1H-imidazol-2-ylsulfanyl)-3-methylbutanoic acid
CID 107778960
1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one
CID 43412024
1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol
CID 107783375
N-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide
CID 107779802
2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one
CID 43232305
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one
CID 78761229
1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol
CID 107783372
1-(4-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one
CID 43412578

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one (CID 103705487) is 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one is CC(Sc1ncc[nH]1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one?
The InChIKey is LTZOTHZVPYGJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-8(17-12-14-6-7-15-12)11(16)9-2-4-10(13)5-3-9/h2-8H,1H3,(H,14,15).
What are the key properties of 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one?
1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one has a molecular weight of 250.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one is sourced from PubChem (CID 103705487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).