2-{[3-(2-methoxyphenoxy)azetidin-1-yl]methyl}-1-methyl-1H-imidazole

• ChemBase ID: 832026
• Molecular Formular: C15H19N3O2
• Molecular Mass: 273.33026
• Monoisotopic Mass: 273.14772686
• SMILES: c1(n(ccn1)C)CN1CC(Oc2c(OC)cccc2)C1
• Canonical SMILES: COc1ccccc1OC1CN(C1)Cc1nccn1C
• InChI: InChI=1S/C15H19N3O2/c1-17-8-7-16-15(17)11-18-9-12(10-18)20-14-6-4-3-5-13(14)19-2/h3-8,12H,9-11H2,1-2H3
• InChIKey: TYOYGJQZPLHZQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[3-(2-methoxyphenoxy)azetidin-1-yl]methyl}-1-methyl-1H-imidazole
• IUPAC Traditional name: 2-{[3-(2-methoxyphenoxy)azetidin-1-yl]methyl}-1-methylimidazole
• Synonyms: 2-{[3-(2-methoxyphenoxy)azetidin-1-yl]methyl}-1-methyl-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8854097
• LogD (pH = 7.4): 1.448334
• Log P: 1.4676355
• Molar Refractivity: 76.4958 cm^3
• Polarizability: 29.854612 Å^3
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.56
• LOG S: -1.52
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 5