Basic information
- Standard SMILES
CC(Nc1ncnc2[nH]cnc12)c1nc2ccc(F)c(C3CC3)c2n1-c1ccccc1- InChIKey
SBCBIAZWPXGYKS-UHFFFAOYSA-N- Molecular formula
- C23H20FN7
- Average molar mass
- 413.4 g/mol
- Monoisotopic mass
- 413.17642183
Names & identifiers
- Preferred name
- [1-(7-Cyclopropyl-6-fluoro-1-phenyl-1H-benzoimidazol-2-yl)-ethyl]-(9H-purin-6-yl)-amine
- IUPAC
- N-[1-(7-cyclopropyl-6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-7H-purin-6-amine
Names & synonyms
SCHEMBL11901362SBCBIAZWPXGYKS-UHFFFAOYSA-N[1-(7-Cyclopropyl-6-fluoro-1-phenyl-1H-benzoimidazol-2-yl)-ethyl]-(9H-purin-6-yl)-amine
Database identifiers
- PubChem CID
- 68157610
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 627
Related reactions
1 records
Compound notes
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