N-{2-[5-(3-ethoxy-4-methoxyphenyl)-4-phenyl-1H-imidazol-1-yl]ethyl}acetamide

• ChemBase ID: 476197
• Molecular Formular: C22H25N3O3
• Molecular Mass: 379.4522
• Monoisotopic Mass: 379.18959168
• SMILES: n1c(c(n(c1)CCNC(=O)C)c1cc(c(cc1)OC)OCC)c1ccccc1
• Canonical SMILES: CCOc1cc(ccc1OC)c1n(CCNC(=O)C)cnc1c1ccccc1
• InChI: InChI=1S/C22H25N3O3/c1-4-28-20-14-18(10-11-19(20)27-3)22-21(17-8-6-5-7-9-17)24-15-25(22)13-12-23-16(2)26/h5-11,14-15H,4,12-13H2,1-3H3,(H,23,26)
• InChIKey: UZBWSKWCAGIRLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[5-(3-ethoxy-4-methoxyphenyl)-4-phenyl-1H-imidazol-1-yl]ethyl}acetamide
• IUPAC Traditional name: N-{2-[5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl}acetamide
• Synonyms: N-{2-[5-(3-ethoxy-4-methoxyphenyl)-4-phenyl-1H-imidazol-1-yl]ethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.500385
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4971514
• LogD (pH = 7.4): 2.7376409
• Log P: 2.7420824
• Molar Refractivity: 108.756 cm^3
• Polarizability: 44.523285 Å^3
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.94
• LOG S: -4.48
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 8