Basic information
- Standard SMILES
CCCCc1ncc(COC(C)=O)n1CCC12CC3CC(CC(C3)C1)C2- InChIKey
JFAKEFGBBXTVRL-UHFFFAOYSA-N- Molecular formula
- C22H34N2O2
- Average molar mass
- 358.5 g/mol
Names & identifiers
- Preferred name
- 5-Acetoxymethyl-1-[2-(1-adamantyl)ethyl]2-n-butylimidazole
- IUPAC
- [3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]methyl acetate
Names & synonyms
SCHEMBL7276300JFAKEFGBBXTVRL-UHFFFAOYSA-N5-acetoxymethyl-1-[2-(1-adamantyl)ethyl]-2-n-butylimidazole5-acetoxymethyl-1-[2-(1-adamantyl)ethyl]2-n-butylimidazole5-acetoxymethyl-1-[2-(1-adamantyl)-ethyl]-2-n-butyl-imidazole
Database identifiers
- PubChem CID
- 19936797
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 465
Related reactions
5 records
Compound notes
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