Basic information
- CAS
77587-84-9- Standard SMILES
COc1ccc(-c2[nH]c3ccccc3c2C[N+](CCO)=C2NCCN2)cc1.[I-]- InChIKey
DINNZESQGYFIQF-UHFFFAOYSA-N- Molecular formula
- C21H25IN4O2
- Average molar mass
- 492.4 g/mol
- Monoisotopic mass
- 492.10222
Names & identifiers
- Preferred name
- Ethanol, 2-(N-(2-imidazolin-2-yl)-N-(2-(p-methoxyphenyl)-3-indolylmethyl)amino)-, hydriodide
- IUPAC
- 2-hydroxyethyl-imidazolidin-2-ylidene-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]azanium iodide
Names & synonyms
2-(N-(2-Imidazolin-2-yl)-N-(2-(p-methoxyphenyl)-3-indolylmethyl)amino)ethanol hydriodideEthanol, 2-(N-(2-imidazolin-2-yl)-N-(2-(p-methoxyphenyl)-3-indolylmethyl)amino)-, hydriodide77587-84-9RefChem:340918
Database identifiers
- CAS
77587-84-9- PubChem CID
- 53690
Properties
Computed structural properties
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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