Basic information
- Standard SMILES
OCCNc1nc(-n2cnc3ccccc32)c2nc[nH]c2n1- InChIKey
NXVYYLSBAVBQOK-UHFFFAOYSA-N- Molecular formula
- C14H13N7O
- Average molar mass
- 295.3 g/mol
- Monoisotopic mass
- 295.11815806
Names & identifiers
- Preferred name
- 2-[[6-(1H-benzimidazol-1-yl)-9H-purin-2-yl]amino]ethanol
- IUPAC
- 2-[[6-(benzimidazol-1-yl)-7H-purin-2-yl]amino]ethanol
Names & synonyms
SCHEMBL4128147NXVYYLSBAVBQOK-UHFFFAOYSA-N2-[[6-(1H-benzimidazol-1-yl)-9H-purin-2-yl]amino]ethanol
Database identifiers
- PubChem CID
- 68923559
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 384
Related reactions
2 records
Compound notes
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