1-[3-(2-ethoxyphenyl)propyl]-2-(oxolan-3-yl)-1H-imidazole

• ChemBase ID: 857924
• Molecular Formular: C18H24N2O2
• Molecular Mass: 300.39536
• Monoisotopic Mass: 300.18377802
• SMILES: c1(n(ccn1)CCCc1c(OCC)cccc1)C1COCC1
• Canonical SMILES: CCOc1ccccc1CCCn1ccnc1C1COCC1
• InChI: InChI=1S/C18H24N2O2/c1-2-22-17-8-4-3-6-15(17)7-5-11-20-12-10-19-18(20)16-9-13-21-14-16/h3-4,6,8,10,12,16H,2,5,7,9,11,13-14H2,1H3
• InChIKey: UKMVICOSMHXJPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(2-ethoxyphenyl)propyl]-2-(oxolan-3-yl)-1H-imidazole
• IUPAC Traditional name: 1-[3-(2-ethoxyphenyl)propyl]-2-(oxolan-3-yl)imidazole
• Synonyms: 1-[3-(2-ethoxyphenyl)propyl]-2-(tetrahydrofuran-3-yl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0972188
• LogD (pH = 7.4): 2.902086
• Log P: 2.990701
• Molar Refractivity: 87.5263 cm^3
• Polarizability: 33.712875 Å^3
• Polar Surface Area: 36.28 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.71
• LOG S: -3.71
• Polar Surface Area: 36.28 Å^2
• Rotatable Bonds: 7