Basic information
- Standard SMILES
CCCCc1nc(Cl)c(CC=CO)n1Cc1ccc(N)cc1- InChIKey
KIBWGUHWWSTMCU-UHFFFAOYSA-N- Molecular formula
- C17H22ClN3O
- Average molar mass
- 319.8 g/mol
- Monoisotopic mass
- 319.14514
Names & identifiers
- Preferred name
- 3-[1-(4-Aminobenzyl)-2-butyl-4-chloroimidazol-5-yl]propen-1-ol
- IUPAC
- 3-[3-[(4-aminophenyl)methyl]-2-butyl-5-chloroimidazol-4-yl]prop-1-en-1-ol
Names & synonyms
SCHEMBL620KIBWGUHWWSTMCU-UHFFFAOYSA-N3-[1-(4-Aminobenzyl)-2-butyl-4-chloroimidazol-5-yl]propen-1-ol
Database identifiers
- PubChem CID
- 66577172
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 345
Related reactions
10 records
Compound notes
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