Basic information
- Standard SMILES
OCC1OC(n2c(NCc3ccc(-c4ccccc4)c(OCCCCOCc4ccccc4)c3)nc3ccccc32)C(O)C1O- InChIKey
HSMTYTNIWHTCJU-UHFFFAOYSA-N- Molecular formula
- C36H39N3O6
- Average molar mass
- 609.7 g/mol
- Monoisotopic mass
- 609.28388597
Names & identifiers
- IUPAC
- 2-(hydroxymethyl)-5-[2-[[4-phenyl-3-(4-phenylmethoxybutoxy)phenyl]methylamino]benzimidazol-1-yl]oxolane-3,4-diol
Database identifiers
- PubChem CID
- 23143905
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 857
Related reactions
2 records
Compound notes
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