1-(2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)propan-1-one
Basic information
- CAS
851802-65-8- Standard SMILES
CCC(=O)N1CCN=C1SCc1c(F)cccc1Cl- InChIKey
DRIZRWVQBHJRBS-UHFFFAOYSA-N- Molecular formula
- C13H14ClFN2OS
- Average molar mass
- 300.78 g/mol
- Monoisotopic mass
- 300.0499401
Names & identifiers
- Preferred name
- 1-(2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)propan-1-one
- IUPAC
- 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]propan-1-one
Names & synonyms
851802-65-81-(2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)propan-1-one1-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazol-1-yl)propan-1-one1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]propan-1-oneF0630-0830MLS001201503CHEMBL2140976DTXSID901328545HMS2952D03SMSSF-0294920AKOS024588917SMR000640880
Show more names
SR-01000007806SR-01000007806-11-{2-[(2-chloro-6-fluorophenyl)methylthio]-2-imidazolin-1-yl}-1-propanone
Database identifiers
- CAS
851802-65-8- PubChem CID
- 4440197
- DTXSID
DTXSID901328545- ChEMBL
CHEMBL2140976
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 367
Experimental & physicochemical properties
Solubility12.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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