Basic information
- CAS
57648-22-3- Standard SMILES
CSc1nc2ccccc2n1C1CCN(CCCC(=O)c2ccc(F)cc2)CC1- InChIKey
BVGPDNRHQWKRSI-UHFFFAOYSA-N- Molecular formula
- C23H26FN3OS
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.1780618
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-4-(4-(2-methylthiobenzimidazol-1-yl)piperidino)-
- IUPAC
- 1-(4-fluorophenyl)-4-[4-(2-methylsulfanylbenzimidazol-1-yl)piperidin-1-yl]butan-1-one
- English name
- 4'-Fluoro-γ-[4-(2-methylthio-1H-benzimidazol-1-yl)piperidino]butyrophenone
- Molecular formula
- C23H26FN3OS
- Molecular weight
- 411.54
Names & synonyms
BRN 0902388BUTYROPHENONE, 4'-FLUORO-4-(4-(2-METHYLTHIOBENZIMIDAZOL-1-YL)PIPERIDINO)-DTXSID702063504'-Fluoro-4-(4-(2-methylthiobenzimidazol-1-yl)piperidino)butyrophenone5-23-11-00297 (Beilstein Handbook Reference)1-(4-Fluorophenyl)-4-(4-(2-(methylthio)-1H-benzimidazol-1-yl)-1-piperidinyl)-1-butanone1-(4-Fluorophenyl)-4-[4-[2-(methylthio)-1H-benzimidazol-1-yl]-1-piperidinyl]-1-butanoneRefChem:331414DTXCID7012884157648-22-3CHEMBL3277303SCHEMBL11794648
Show more names
4'-Fluoro-γ-[4-(2-methylthio-1H-benzimidazol-1-yl)piperidino]butyrophenone1-Butanone, 1-(4-fluorophenyl)-4-[4-[2-(methylthio)-1H-benzimidazol-1-yl]-1-piperidinyl]-
BVGPDNRHQWKRSI-UHFFFAOYSA-NDS-0160301-[1-(3-(4-fluorobenzoyl)-propyl)-4-piperidyl]-2-methylmercaptobenzimidazole1-(4-Fluorophenyl)-4-{4-[2-(methylsulfanyl)-1H-1,3-benzimidazol-1-yl]piperidin-1-yl}butan-1-one1-(4-Fluorophenyl)-4-{4-[2-(methylsulfanyl)-1h-benzimidazol-1-yl]piperidin-1-yl}butan-1-one
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 534
Related reactions
2 records
Compound notes
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