ethyl 3-[5-(2,3-dimethoxyphenyl)-4-phenyl-1H-imidazol-1-yl]propanoate

• ChemBase ID: 433867
• Molecular Formular: C22H24N2O4
• Molecular Mass: 380.43696
• Monoisotopic Mass: 380.17360726
• SMILES: c1(c2c(c(OC)ccc2)OC)c(ncn1CCC(=O)OCC)c1ccccc1
• Canonical SMILES: CCOC(=O)CCn1cnc(c1c1cccc(c1OC)OC)c1ccccc1
• InChI: InChI=1S/C22H24N2O4/c1-4-28-19(25)13-14-24-15-23-20(16-9-6-5-7-10-16)21(24)17-11-8-12-18(26-2)22(17)27-3/h5-12,15H,4,13-14H2,1-3H3
• InChIKey: ZZTIITDXNIXFRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-[5-(2,3-dimethoxyphenyl)-4-phenyl-1H-imidazol-1-yl]propanoate
• IUPAC Traditional name: ethyl 3-[5-(2,3-dimethoxyphenyl)-4-phenylimidazol-1-yl]propanoate
• Synonyms: ethyl 3-[5-(2,3-dimethoxyphenyl)-4-phenyl-1H-imidazol-1-yl]propanoate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.4261131
• LogD (pH = 7.4): 3.5786717
• Log P: 3.5811095
• Molar Refractivity: 106.9155 cm^3
• Polarizability: 44.073483 Å^3
• Polar Surface Area: 62.58 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.35
• LOG S: -4.84
• Polar Surface Area: 62.58 Å^2
• Rotatable Bonds: 9