1-Ethylsulfonyl-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole
Basic information
- CAS
868216-81-3- Standard SMILES
CCS(=O)(=O)N1CCN=C1SCc1ccc(F)cc1- InChIKey
WYFVELCMGGDHDN-UHFFFAOYSA-N- Molecular formula
- C12H15FN2O2S2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.05589823
Names & identifiers
- Preferred name
- 1-Ethylsulfonyl-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole
- IUPAC
- 1-ethylsulfonyl-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole
Names & synonyms
868216-81-31-(ethylsulfonyl)-2-((4-fluorobenzyl)thio)-4,5-dihydro-1H-imidazole1-ethylsulfonyl-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole1-(ethanesulfonyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazoleMLS001167978F1804-0054CHEMBL1888788DTXSID201332585HMS2961H14AKOS024609589SMR000641194SR-01000015379
Show more names
SR-01000015379-1
Database identifiers
- CAS
868216-81-3- PubChem CID
- 2148588
- DTXSID
DTXSID201332585- ChEMBL
CHEMBL1888788
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 426
Experimental & physicochemical properties
Solubility39.9 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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