Basic information
- Standard SMILES
CC(=Cc1ccccc1)Cn1cc(CCCc2cnc(N)[nH]2)nn1.Cl- InChIKey
XORJBSZIUOVBFA-UHFFFAOYSA-N- Molecular formula
- C18H23ClN6
- Average molar mass
- 358.9 g/mol
Names & identifiers
- Preferred name
- 5-{3-[1-(2-Methyl-3-phenyl-allyl)-1H-[1,2,3]triazol-4-yl]-propyl}-1H-imidazol-2-ylamine hydrochloride
- IUPAC
- 5-[3-[1-(2-methyl-3-phenylprop-2-enyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride
Names & synonyms
SCHEMBL1523342XORJBSZIUOVBFA-UHFFFAOYSA-N5-{3-[1-(2-Methyl-3-phenyl-allyl)-1H-[1,2,3]triazol-4-yl]-propyl}-1H-imidazol-2-ylamine hydrochloride
Database identifiers
- PubChem CID
- 67064091
Properties
Computed structural properties
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 406
Related reactions
4 records
Compound notes
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