1-dodecyl-1H-imidazole

• ChemBase ID: 80209
• Molecular Formular: C15H28N2
• Molecular Mass: 236.39622
• Monoisotopic Mass: 236.22524891
• SMILES: n1cn(CCCCCCCCCCCC)cc1
• Canonical SMILES: CCCCCCCCCCCCn1ccnc1
• InChI: InChI=1S/C15H28N2/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15-17/h12,14-15H,2-11,13H2,1H3
• InChIKey: JMTFLSQHQSFNTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-dodecyl-1H-imidazole
• IUPAC Traditional name: 1-dodecylimidazole
• Synonyms: 1-dodecyl-1H-imidazole

Database IDs

• MDL Number: MFCD00278859
• PubChem SID: 162067329
• PubChem CID: 78002

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4260244
• LogD (pH = 7.4): 4.890188
• Log P: 4.9589
• Molar Refractivity: 74.5911 cm^3
• Polarizability: 29.190248 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true