1-(4-chlorophenyl)-2-(2,3,4-trimethoxyphenyl)-1H-imidazole

• ChemBase ID: 704609
• Molecular Formular: C18H17ClN2O3
• Molecular Mass: 344.79218
• Monoisotopic Mass: 344.09277009
• SMILES: c1(c2c(c(c(cc2)OC)OC)OC)n(c2ccc(cc2)Cl)ccn1
• Canonical SMILES: COc1c(OC)c(OC)ccc1c1nccn1c1ccc(cc1)Cl
• InChI: InChI=1S/C18H17ClN2O3/c1-22-15-9-8-14(16(23-2)17(15)24-3)18-20-10-11-21(18)13-6-4-12(19)5-7-13/h4-11H,1-3H3
• InChIKey: SAVYVFCOQMXKKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chlorophenyl)-2-(2,3,4-trimethoxyphenyl)-1H-imidazole
• IUPAC Traditional name: 1-(4-chlorophenyl)-2-(2,3,4-trimethoxyphenyl)imidazole
• Synonyms: 1-(4-chlorophenyl)-2-(2,3,4-trimethoxyphenyl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6098335
• LogD (pH = 7.4): 3.886783
• Log P: 3.8922114
• Molar Refractivity: 113.3024 cm^3
• Polarizability: 37.08681 Å^3
• Polar Surface Area: 45.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.77
• LOG S: -5.79
• Polar Surface Area: 45.51 Å^2
• Rotatable Bonds: 5