1-[2-[(2-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one
Basic information
- CAS
851807-11-9- Standard SMILES
CC(Oc1ccccc1)C(=O)N1CCN=C1SCc1ccccc1F- InChIKey
GWZUWMURDPCBTJ-UHFFFAOYSA-N- Molecular formula
- C19H19FN2O2S
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.11512719
Names & identifiers
- Preferred name
- 1-[2-[(2-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one
- IUPAC
- 1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one
Names & synonyms
851807-11-91-(2-{[(2-fluorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxypropan-1-one1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one1-(2-((2-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxypropan-1-oneMLS000684707CHEMBL1729631DTXSID001328336HMS2761K03AKOS024589356SMR000323216F0630-1631
Database identifiers
- CAS
851807-11-9- PubChem CID
- 4385657
- DTXSID
DTXSID001328336- ChEMBL
CHEMBL1729631
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 482
Experimental & physicochemical properties
Solubility11.4 [ug/mL] (The mean of the results at pH 7.4)
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