2-(2-ethoxyphenyl)-1-(prop-2-en-1-yl)-1H-imidazole

• ChemBase ID: 673521
• Molecular Formular: C14H16N2O
• Molecular Mass: 228.28964
• Monoisotopic Mass: 228.12626314
• SMILES: c1(c2c(OCC)cccc2)n(ccn1)CC=C
• Canonical SMILES: C=CCn1ccnc1c1ccccc1OCC
• InChI: InChI=1S/C14H16N2O/c1-3-10-16-11-9-15-14(16)12-7-5-6-8-13(12)17-4-2/h3,5-9,11H,1,4,10H2,2H3
• InChIKey: IDCVGCYCVDMPSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxyphenyl)-1-(prop-2-en-1-yl)-1H-imidazole
• IUPAC Traditional name: 2-(2-ethoxyphenyl)-1-(prop-2-en-1-yl)imidazole
• Synonyms: 1-allyl-2-(2-ethoxyphenyl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6107645
• LogD (pH = 7.4): 3.0231411
• Log P: 3.0336087
• Molar Refractivity: 79.3856 cm^3
• Polarizability: 27.08295 Å^3
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.59
• LOG S: -3.08
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 5