1-{4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]phenyl}-1H-imidazole

• ChemBase ID: 421249
• Molecular Formular: C20H19N3O3
• Molecular Mass: 349.38316
• Monoisotopic Mass: 349.14264148
• SMILES: N1(C(=O)c2ccc(n3cncc3)cc2)CC(C1)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1OC1CN(C1)C(=O)c1ccc(cc1)n1cncc1
• InChI: InChI=1S/C20H19N3O3/c1-25-18-4-2-3-5-19(18)26-17-12-23(13-17)20(24)15-6-8-16(9-7-15)22-11-10-21-14-22/h2-11,14,17H,12-13H2,1H3
• InChIKey: FOUQVAMCFBNQJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]phenyl}-1H-imidazole
• IUPAC Traditional name: 1-{4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]phenyl}imidazole
• Synonyms: 1-(4-{[3-(2-methoxyphenoxy)-1-azetidinyl]carbonyl}phenyl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9336852
• LogD (pH = 7.4): 2.3764744
• Log P: 2.4090233
• Molar Refractivity: 107.5948 cm^3
• Polarizability: 37.830353 Å^3
• Polar Surface Area: 56.59 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: 1.3
• LOG S: -2.86
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 5