2-chloro-6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-9-tetrahydro-2H-pyran-2-yl-9H-purine
Basic information
- Standard SMILES
COc1cccc2c1nc(C(F)F)n2-c1nc(Cl)nc2c1ncn2C1CCCCO1- InChIKey
LXTQHHDPPDFXSZ-UHFFFAOYSA-N- Molecular formula
- C19H17ClF2N6O2
- Average molar mass
- 434.8 g/mol
- Monoisotopic mass
- 434.1069578
Names & identifiers
- Preferred name
- 2-chloro-6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-9-tetrahydro-2H-pyran-2-yl-9H-purine
- IUPAC
- 2-chloro-6-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-9-(oxan-2-yl)purine
Names & synonyms
2-chloro-6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-9-tetrahydro-2H-pyran-2-yl-9H-purineSCHEMBL951904
Database identifiers
- PubChem CID
- 86649783
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 609
Related reactions
2 records
Compound notes
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