N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

• ChemBase ID: 340266
• Molecular Formular: C22H22N4O2
• Molecular Mass: 374.43568
• Monoisotopic Mass: 374.17427596
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)Cn1ccnc1c1ccccc1)c[nH]2
• InChI: InChI=1S/C22H22N4O2/c1-28-18-7-8-20-19(13-18)17(14-25-20)9-10-23-21(27)15-26-12-11-24-22(26)16-5-3-2-4-6-16/h2-8,11-14,25H,9-10,15H2,1H3,(H,23,27)
• InChIKey: KNVGHXHNGNGZTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-phenylimidazol-1-yl)acetamide
• Synonyms: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.4105215
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.3897755
• LogD (pH = 7.4): 2.9334776
• Log P: 2.952164
• Molar Refractivity: 118.7319 cm^3
• Polarizability: 43.322746 Å^3
• Polar Surface Area: 71.94 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.39
• LOG S: -3.97
• Polar Surface Area: 71.94 Å^2
• Rotatable Bonds: 7