1-[3-(1H-imidazol-1-yl)propyl]-5-(2-methoxy-4-methylphenyl)-4-phenyl-1H-imidazole

• ChemBase ID: 414263
• Molecular Formular: C23H24N4O
• Molecular Mass: 372.46286
• Monoisotopic Mass: 372.19501141
• SMILES: c1(c(ncn1CCCn1cncc1)c1ccccc1)c1c(cc(cc1)C)OC
• Canonical SMILES: COc1cc(C)ccc1c1n(CCCn2cncc2)cnc1c1ccccc1
• InChI: InChI=1S/C23H24N4O/c1-18-9-10-20(21(15-18)28-2)23-22(19-7-4-3-5-8-19)25-17-27(23)13-6-12-26-14-11-24-16-26/h3-5,7-11,14-17H,6,12-13H2,1-2H3
• InChIKey: IMIWOJPKQPSFBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(1H-imidazol-1-yl)propyl]-5-(2-methoxy-4-methylphenyl)-4-phenyl-1H-imidazole
• IUPAC Traditional name: 1-[3-(imidazol-1-yl)propyl]-5-(2-methoxy-4-methylphenyl)-4-phenylimidazole
• Synonyms: 1-[3-(1H-imidazol-1-yl)propyl]-5-(2-methoxy-4-methylphenyl)-4-phenyl-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2942336
• LogD (pH = 7.4): 3.9299116
• Log P: 4.001391
• Molar Refractivity: 111.9977 cm^3
• Polarizability: 45.19112 Å^3
• Polar Surface Area: 44.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.58
• LOG S: -4.97
• Polar Surface Area: 44.87 Å^2
• Rotatable Bonds: 7