2H-Imidazole-4-octanoic acid, 5-octyl-2-oxo-
Basic information
- CAS
144850-33-9- Standard SMILES
CCCCCCCCC1=NC(=O)N=C1CCCCCCCC(=O)O- InChIKey
KCYHYISMYRPOOO-UHFFFAOYSA-N- Molecular formula
- C19H32N2O3
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.24129289
Names & identifiers
- Preferred name
- 2H-Imidazole-4-octanoic acid, 5-octyl-2-oxo-
- IUPAC
- 8-(5-octyl-2-oxoimidazol-4-yl)octanoic acid
Names & synonyms
144850-33-92H-Imidazole-4-octanoic acid, 5-octyl-2-oxo-5-Octyl-2-oxo-2H-imidazole-4-octanoic acidDTXSID70162821RefChem:268648DTXCID10853128-(5-Octyl-2-oxo-2H-imidazol-4-yl)octanoic acidCHEMBL1643618
Database identifiers
- CAS
144850-33-9- PubChem CID
- 3072840
- DTXSID
DTXSID70162821- ChEMBL
CHEMBL1643618
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…