5-(2-furylmethylene)-3-phenyl-2-(1-piperidinyl)-3,5-dihydro-4H-imidazol-4-one
Basic information
- CAS
1164498-51-4- Standard SMILES
O=C1/C(=C/c2ccco2)N=C(N2CCCCC2)N1c1ccccc1- InChIKey
GRLYKBJZLOUOSE-VKAVYKQESA-N- Molecular formula
- C19H19N3O2
- Average molar mass
- 321.4 g/mol
Names & identifiers
- Preferred name
- 5-(2-furylmethylene)-3-phenyl-2-(1-piperidinyl)-3,5-dihydro-4H-imidazol-4-one
- IUPAC
- (5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-piperidin-1-ylimidazol-4-one
- English name
- 5-(2-furylmethylene)-3-phenyl-2-(1-piperidinyl)-3,5-dihydro-4H-imidazol-4-one
- Molecular formula
- C19H19N3O2
- Molecular weight
- 321.37
Names & synonyms
5-(2-furylmethylene)-3-phenyl-2-(1-piperidinyl)-3,5-dihydro-4H-imidazol-4-oneMLS000700388CHEMBL1453165HMS2517K18(5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-piperidin-1-ylimidazol-4-oneSMR000229464AO-294/41028284
Database identifiers
- CAS
1164498-51-4- ChEMBL
CHEMBL1453165
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 531
Physicochemical properties
- Boiling point
- 456.423 · 456.423±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.263 · 1.263±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.441 · -0.441±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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