2-{(4,5-Dihydro-1H-imidazol-2-yl)[(1H-indol-3-yl)methyl]amino}ethan-1-ol--hydrogen iodide (1/1)
Basic information
- CAS
77587-68-9- Standard SMILES
I.OCCN(Cc1c[nH]c2ccccc12)C1=NCCN1- InChIKey
ZIWQOYHIXASCGM-UHFFFAOYSA-N- Molecular formula
- C14H19IN4O
- Average molar mass
- 386.23 g/mol
- Monoisotopic mass
- 386.06036
Overview
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Names & identifiers
- Preferred name
- 2-{(4,5-Dihydro-1H-imidazol-2-yl)[(1H-indol-3-yl)methyl]amino}ethan-1-ol--hydrogen iodide (1/1)
- IUPAC
- 2-[4,5-dihydro-1H-imidazol-2-yl(1H-indol-3-ylmethyl)amino]ethanol;hydroiodide
Names & synonyms
DTXSID209987932-{(4,5-Dihydro-1H-imidazol-2-yl)[(1H-indol-3-yl)methyl]amino}ethan-1-ol--hydrogen iodide (1/1)
Database identifiers
- CAS
77587-68-9- PubChem CID
- 53471848
- DTXSID
DTXSID20998793
Properties
Computed structural properties
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
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Compound notes
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