Basic information
- Standard SMILES
Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2CCC1(c2cccc(F)c2)CCNCC1- InChIKey
XWOMPNXNLRTQPS-XMGLRAKGSA-N- Molecular formula
- C28H35FN4
- Average molar mass
- 446.6 g/mol
- Monoisotopic mass
- 446.2845753
Names & identifiers
- Preferred name
- 1-((1R,5S)-8-{2-[4-(3-fluorophenyl)piperidin-4-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole
- IUPAC
- 1-[(1R,5S)-8-[2-[4-(3-fluorophenyl)piperidin-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylbenzimidazole
Names & synonyms
SCHEMBL3528529SCHEMBL13545026XWOMPNXNLRTQPS-XMGLRAKGSA-N1-((1R,5S)-8-{2-[4-(3-fluorophenyl)piperidin-4-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole
Database identifiers
- PubChem CID
- 58728815
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 652
Related reactions
7 records
Compound notes
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