4-(1-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}azetidin-3-yl)morpholine

• ChemBase ID: 782707
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: c1(n(c2ccc(cc2)OC)ccn1)CN1CC(N2CCOCC2)C1
• Canonical SMILES: COc1ccc(cc1)n1ccnc1CN1CC(C1)N1CCOCC1
• InChI: InChI=1S/C18H24N4O2/c1-23-17-4-2-15(3-5-17)22-7-6-19-18(22)14-20-12-16(13-20)21-8-10-24-11-9-21/h2-7,16H,8-14H2,1H3
• InChIKey: ZSIOIYHOFQPYHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}azetidin-3-yl)morpholine
• IUPAC Traditional name: 4-(1-{[1-(4-methoxyphenyl)imidazol-2-yl]methyl}azetidin-3-yl)morpholine
• Synonyms: 4-(1-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}azetidin-3-yl)morpholine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 1.08
• LOG S: -1.51
• Polar Surface Area: 42.76 Å^2
• Rotatable Bonds: 5
• H Acceptors: 5
• H Donor: 0

JChem

• Molar Refractivity: 103.1341 cm^3
• Polarizability: 36.94742 Å^3
• Polar Surface Area: 42.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.14176531
• LogD (pH = 7.4): 1.232246
• Log P: 1.2816885