(4-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}morpholin-2-yl)methanamine

• ChemBase ID: 337418
• Molecular Formular: C16H22N4O2
• Molecular Mass: 302.37148
• Monoisotopic Mass: 302.17427596
• SMILES: c1(n(c2ccc(cc2)OC)ccn1)CN1CC(OCC1)CN
• Canonical SMILES: NCC1OCCN(C1)Cc1nccn1c1ccc(cc1)OC
• InChI: InChI=1S/C16H22N4O2/c1-21-14-4-2-13(3-5-14)20-7-6-18-16(20)12-19-8-9-22-15(10-17)11-19/h2-7,15H,8-12,17H2,1H3
• InChIKey: GYPNLHWMMMGLBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.7145197
• LogD (pH = 7.4): -1.3755575
• Log P: 0.63758504
• Molar Refractivity: 95.0338 cm^3
• Polarizability: 33.992397 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.06
• LOG S: -1.3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 5