N-cyclohexyl-2-[4-[(2-fluorophenyl)methylidene]-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanylacetamide
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Basic information
- CAS
724454-26-6- Standard SMILES
C=CCN1C(=O)C(=Cc2ccccc2F)N=C1SCC(=O)NC1CCCCC1- InChIKey
INCXJTGGBABLCU-UHFFFAOYSA-N- Molecular formula
- C21H24FN3O2S
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.15732635
Names & identifiers
- Preferred name
- N-cyclohexyl-2-[4-[(2-fluorophenyl)methylidene]-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanylacetamide
- IUPAC
- N-cyclohexyl-2-[4-[(2-fluorophenyl)methylidene]-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanylacetamide
- English name
- 2-{[1-allyl-4-(2-fluorobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-cyclohexylacetamide
- Molecular formula
- C21H24FN3O2S
- Molecular weight
- 401.5
Names & synonyms
2-{[1-allyl-4-(2-fluorobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-cyclohexylacetamide
Database identifiers
- CAS
724454-26-6- PubChem CID
- 980511
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 658
Physicochemical properties
- Density
- 1.269 · 1.269±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.902 · 13.902±0.20(predicted)
Related reactions
0 records
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Compound notes
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