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Basic information
- Standard SMILES
OC[C@H]1O[C@@H](n2c(NCc3ccc(-c4ccccc4)c(O)c3)nc3ccccc32)[C@H](O)[C@@H]1O- InChIKey
IIPUSQFHEVHHKB-MOUTVQLLSA-N- Molecular formula
- C25H25N3O5
- Average molar mass
- 447.5 g/mol
- Monoisotopic mass
- 447.17942091
Names & identifiers
- Preferred name
- 2-(3-Hydroxy-4-phenylbenzylamino)-1-(beta-D-ribofuranosyl)-1H-benzimidazole
- IUPAC
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[2-[(3-hydroxy-4-phenylphenyl)methylamino]benzimidazol-1-yl]oxolane-3,4-diol
Names & synonyms
SCHEMBL3922736IIPUSQFHEVHHKB-MOUTVQLLSA-N2-(3-Hydroxy-4-phenylbenzylamino)-1-(beta-D-ribofuranosyl)-1H-benzimidazole
Database identifiers
- PubChem CID
- 57720166
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 635
Related reactions
1 records
Compound notes
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