N-(2-Hydroxyethyl)-N-((2-(pyridin-2-yl)-1H-indol-3-yl)methyl)imidazolidin-2-iminium iodide
Basic information
- CAS
77587-88-3- Standard SMILES
OCC[N+](Cc1c(-c2ccccn2)[nH]c2ccccc12)=C1NCCN1.[I-]- InChIKey
KIYVQVODNHTUNR-UHFFFAOYSA-N- Molecular formula
- C19H22IN5O
- Average molar mass
- 463.3 g/mol
- Monoisotopic mass
- 463.08691
Names & identifiers
- Preferred name
- N-(2-Hydroxyethyl)-N-((2-(pyridin-2-yl)-1H-indol-3-yl)methyl)imidazolidin-2-iminium iodide
- IUPAC
- 2-hydroxyethyl-imidazolidin-2-ylidene-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]azanium iodide
Names & synonyms
77587-88-3DTXSID90998801N-(2-Hydroxyethyl)-N-((2-(pyridin-2-yl)-1H-indol-3-yl)methyl)imidazolidin-2-iminium iodideN-(2-Hydroxyethyl)-N-{[2-(pyridin-2-yl)-1H-indol-3-yl]methyl}imidazolidin-2-iminium iodideRefChem:1091052DTXCID9014257832-(N-(2-Imidazolin-2-yl)-N-(2-(2-pyridyl)-3-indolylmethyl)amino)ethanol hydriodideEthanol, 2-(N-(2-imidazolin-2-yl)-N-(2-(2-pyridyl)-3-indolylmethyl)amino)-, hydriodide
Database identifiers
- CAS
77587-88-3- PubChem CID
- 53694
- DTXSID
DTXSID90998801
Properties
Computed structural properties
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 474
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Compound notes
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