1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one

C13H13FN2OS — CID 43802153

IUPAC1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one
SMILESCn1ccnc1SCC(=O)Cc1ccccc1F
InChIInChI=1S/C13H13FN2OS/c1-16-7-6-15-13(16)18-9-11(17)8-10-4-2-3-5-12(10)14/h2-7H,8-9H2,1H3
InChIKeySQNUVYCVMHOZIX-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.46
Rot. Bonds5

About 1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one

1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one (PubChem CID 43802153) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one
PubChem CID43802153
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one
SMILESCn1ccnc1SCC(=O)Cc1ccccc1F
InChIInChI=1S/C13H13FN2OS/c1-16-7-6-15-13(16)18-9-11(17)8-10-4-2-3-5-12(10)14/h2-7H,8-9H2,1H3
InChIKeySQNUVYCVMHOZIX-UHFFFAOYSA-N
XLogP2.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
CID 51297425
1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 60892959
1-(1,3-dimethyl-2H-imidazol-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one;hydrochloride
CID 173374532
1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 43226508
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole
CID 5063073
1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 724945
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
N-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide
CID 23801417
2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone
CID 43412452
1-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
CID 47095383
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40529460

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one (CID 43802153) is 1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one is Cn1ccnc1SCC(=O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one?
The InChIKey is SQNUVYCVMHOZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-16-7-6-15-13(16)18-9-11(17)8-10-4-2-3-5-12(10)14/h2-7H,8-9H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one?
1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one has a molecular weight of 264.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one is sourced from PubChem (CID 43802153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).