Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)c(Br)c2n1C- InChIKey
ARBJFBYPXAHOPB-ZETCQYMHSA-N- Molecular formula
- C15H13BrFN7
- Average molar mass
- 390.21 g/mol
- Monoisotopic mass
- 389.03998
Names & identifiers
- Preferred name
- N-[(1S)-1-(7-bromo-6-fluoro-1-methyl-benzimidazol-2-yl)ethyl]-9H-purin-6-amine
- IUPAC
- N-[(1S)-1-(7-bromo-6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-7H-purin-6-amine
Names & synonyms
SCHEMBL11900622ARBJFBYPXAHOPB-ZETCQYMHSA-N[(S)-1-(7-bromo-6-fluoro-1-methyl-1H-benzoimidazol-2-yl)ethyl]-(9H-purin-6-yl)amineN-[(1S)-1-(7-bromo-6-fluoro-1-methyl-benzimidazol-2-yl)ethyl]-9H-purin-6-amine
Database identifiers
- PubChem CID
- 68157061
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 458
Related reactions
3 records
Compound notes
Loading…