1-[2-(5,6-Difluorobenzimidazol-2-ylthio)ethyl]-4-formylpiperazine
Basic information
- Standard SMILES
O=CN1CCN(CCSc2nc3cc(F)c(F)cc3[nH]2)CC1- InChIKey
DWQOSXXYOYIYNI-UHFFFAOYSA-N- Molecular formula
- C14H16F2N4OS
- Average molar mass
- 326.37 g/mol
- Monoisotopic mass
- 326.10128864
Names & identifiers
- Preferred name
- 1-[2-(5,6-Difluorobenzimidazol-2-ylthio)ethyl]-4-formylpiperazine
- IUPAC
- 4-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]ethyl]piperazine-1-carbaldehyde
Names & synonyms
SCHEMBL5387405DWQOSXXYOYIYNI-UHFFFAOYSA-N1-[2-(5,6-difluorobenzimidazol-2-ylthio)ethyl]-4-formylpiperazine
Database identifiers
- PubChem CID
- 23116161
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 384
Related reactions
2 records
Compound notes
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