Basic information
- Standard SMILES
O=C(OCc1ccccc1)C(CCc1nc(-c2ccccc2)c[nH]1)NCc1c[nH]c2ccccc12- InChIKey
WMHAUMXWQBNBMY-UHFFFAOYSA-N- Molecular formula
- C29H28N4O2
- Average molar mass
- 464.6 g/mol
- Monoisotopic mass
- 464.22122615
Names & identifiers
- Preferred name
- benzyl 2-(1H-indol-3-ylmethylamino)-4-(5-phenyl-1H-imidazol-2-yl)butanoate
- IUPAC
- benzyl 2-(1H-indol-3-ylmethylamino)-4-(5-phenyl-1H-imidazol-2-yl)butanoate
Names & synonyms
SCHEMBL27472576
Database identifiers
- PubChem CID
- 174376687
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 649
Related reactions
2 records
Compound notes
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