4-{2-[(1R,2R)-1-Amino-2-methoxypropyl]-6-fluoro-1H-benzimidazol-5-yl}benzonitrile
Basic information
- Standard SMILES
CO[C@H](C)[C@H](N)c1nc2cc(-c3ccc(C#N)cc3)c(F)cc2[nH]1- InChIKey
FMEIEUUWHWGCMH-QGHHPUGFSA-N- Molecular formula
- C18H17FN4O
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.13863934
Names & identifiers
- Preferred name
- 4-{2-[(1R,2R)-1-Amino-2-methoxypropyl]-6-fluoro-1H-benzimidazol-5-yl}benzonitrile
- IUPAC
- 4-[2-[(1R,2R)-1-amino-2-methoxypropyl]-6-fluoro-1H-benzimidazol-5-yl]benzonitrile
Names & synonyms
SCHEMBL15172706FMEIEUUWHWGCMH-QGHHPUGFSA-N4-{2-[(1R,2R)-1-Amino-2-methoxypropyl]-6-fluoro-1H-benzimidazol-5-yl}benzonitrile
Database identifiers
- PubChem CID
- 86699028
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 473
Related reactions
1 records
Compound notes
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