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Basic information
- Standard SMILES
OC[C@H]1O[C@@H](n2c(NCc3cccc(NCCCCOCc4ccccc4)c3)nc3ccccc32)[C@H](O)[C@@H]1O- InChIKey
OOBGYTPAXZBDNG-CXDXLJMYSA-N- Molecular formula
- C30H36N4O5
- Average molar mass
- 532.6 g/mol
Names & identifiers
- Preferred name
- 2-[3-(4-Benzyloxybutylamino)benzylamino]-1-(beta-D-ribofuranosyl)-1H-benzimidazole
- IUPAC
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[2-[[3-(4-phenylmethoxybutylamino)phenyl]methylamino]benzimidazol-1-yl]oxolane-3,4-diol
Names & synonyms
SCHEMBL3933823OOBGYTPAXZBDNG-CXDXLJMYSA-N2-[3-(4-Benzyloxybutylamino)benzylamino]-1-(beta-D-ribofuranosyl)-1H-benzimidazole
Database identifiers
- PubChem CID
- 57720201
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 713
Related reactions
2 records
Compound notes
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