Basic information
- CAS
61076-82-2- Standard SMILES
CC(=O)N1CCN=C1SCc1ccc(F)cc1- InChIKey
LADXNUMEZZVNNG-UHFFFAOYSA-N- Molecular formula
- C12H13FN2OS
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.07326238
Names & identifiers
- Preferred name
- 2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)-
- IUPAC
- 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
Names & synonyms
61076-82-2BRN 06566652-IMIDAZOLINE, 1-ACETYL-2-((p-FLUOROBENZYL)THIO)-Imidazolidine, 3-acetyl-2-(p-fluorobenzylthio)-3-Acetyl-2-((p-fluorobenzyl)thio)-2-imidazolineDTXSID902099495-23-10-00433 (Beilstein Handbook Reference)RefChem:261987DTXCID901324401-(2-{[(4-fluorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazol-1-yl)ethan-1-oneMLS000117083F0630-0369
Show more names
CHEMBL1432758HMS2266J06AKOS024588619WAY-275648SMR000094037SR-01000096125SR-01000096125-1
Database identifiers
- CAS
61076-82-2- PubChem CID
- 43541
- DTXSID
DTXSID90209949- ChEMBL
CHEMBL1432758
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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