1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-5-(2-methylprop-1-en-1-yl)-4-phenyl-1H-imidazole

• ChemBase ID: 865088
• Molecular Formular: C20H24N4O
• Molecular Mass: 336.43076
• Monoisotopic Mass: 336.19501141
• SMILES: c1(n(cnc1c1ccccc1)Cc1n(cnc1)CCOC)C=C(C)C
• Canonical SMILES: COCCn1cncc1Cn1cnc(c1C=C(C)C)c1ccccc1
• InChI: InChI=1S/C20H24N4O/c1-16(2)11-19-20(17-7-5-4-6-8-17)22-15-24(19)13-18-12-21-14-23(18)9-10-25-3/h4-8,11-12,14-15H,9-10,13H2,1-3H3
• InChIKey: IIPMQAPGOJWEHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-5-(2-methylprop-1-en-1-yl)-4-phenyl-1H-imidazole
• IUPAC Traditional name: 1-{[3-(2-methoxyethyl)imidazol-4-yl]methyl}-5-(2-methylprop-1-en-1-yl)-4-phenylimidazole
• Synonyms: 1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-5-(2-methylprop-1-en-1-yl)-4-phenyl-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2688453
• LogD (pH = 7.4): 3.014859
• Log P: 3.100932
• Molar Refractivity: 101.5781 cm^3
• Polarizability: 39.630672 Å^3
• Polar Surface Area: 44.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.14
• LOG S: -4.33
• Polar Surface Area: 44.87 Å^2
• Rotatable Bonds: 7