(furan-2-ylmethyl)({[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl})(prop-2-en-1-yl)amine

• ChemBase ID: 470939
• Molecular Formular: C19H21N3O2
• Molecular Mass: 323.38894
• Monoisotopic Mass: 323.16337693
• SMILES: c1(n(c2ccc(cc2)OC)ccn1)CN(Cc1occc1)CC=C
• Canonical SMILES: C=CCN(Cc1nccn1c1ccc(cc1)OC)Cc1ccco1
• InChI: InChI=1S/C19H21N3O2/c1-3-11-21(14-18-5-4-13-24-18)15-19-20-10-12-22(19)16-6-8-17(23-2)9-7-16/h3-10,12-13H,1,11,14-15H2,2H3
• InChIKey: QOGDAJAZUKVYLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)({[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl})(prop-2-en-1-yl)amine
• IUPAC Traditional name: (furan-2-ylmethyl)({[1-(4-methoxyphenyl)imidazol-2-yl]methyl})prop-2-en-1-ylamine
• Synonyms: N-(2-furylmethyl)-N-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}prop-2-en-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3811948
• LogD (pH = 7.4): 3.0855145
• Log P: 3.1092718
• Molar Refractivity: 104.5055 cm^3
• Polarizability: 36.88519 Å^3
• Polar Surface Area: 43.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.47
• LOG S: -3.52
• Polar Surface Area: 43.43 Å^2
• Rotatable Bonds: 8