Basic information
- CAS
77587-76-9- Standard SMILES
OCC[N+](Cc1c(-c2ccccc2)[nH]c2ccccc12)=C1NCCN1.[I-]- InChIKey
BJBOOPQEXBDCID-UHFFFAOYSA-N- Molecular formula
- C20H23IN4O
- Average molar mass
- 462.3 g/mol
- Monoisotopic mass
- 462.09166
Names & identifiers
- Preferred name
- Ethanol, 2-(N-(2-imidazolin-2-yl)-N-(2-phenyl-3-indolylmethyl)amino)-, hydriodide
- IUPAC
- 2-hydroxyethyl-imidazolidin-2-ylidene-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide
Names & synonyms
2-(N-(2-Imidazolin-2-yl)-N-(2-phenyl-3-indolylmethyl)amino)ethanol hydriodideEthanol, 2-(N-(2-imidazolin-2-yl)-N-(2-phenyl-3-indolylmethyl)amino)-, hydriodide77587-76-9RefChem:340919
Database identifiers
- CAS
77587-76-9- PubChem CID
- 53686
Properties
Computed structural properties
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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