N-(2-methoxy-5-methylphenyl)-2-[2-(pyridin-2-yl)-1H-imidazol-1-yl]acetamide

• ChemBase ID: 495405
• Molecular Formular: C18H18N4O2
• Molecular Mass: 322.36112
• Monoisotopic Mass: 322.14297584
• SMILES: n1(c(ncc1)c1ncccc1)CC(=O)Nc1c(ccc(c1)C)OC
• Canonical SMILES: COc1ccc(cc1NC(=O)Cn1ccnc1c1ccccn1)C
• InChI: InChI=1S/C18H18N4O2/c1-13-6-7-16(24-2)15(11-13)21-17(23)12-22-10-9-20-18(22)14-5-3-4-8-19-14/h3-11H,12H2,1-2H3,(H,21,23)
• InChIKey: FHKMKEIOLDFXLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxy-5-methylphenyl)-2-[2-(pyridin-2-yl)-1H-imidazol-1-yl]acetamide
• IUPAC Traditional name: N-(2-methoxy-5-methylphenyl)-2-[2-(pyridin-2-yl)imidazol-1-yl]acetamide
• Synonyms: N-(2-methoxy-5-methylphenyl)-2-(2-pyridin-2-yl-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.902517
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5376806
• LogD (pH = 7.4): 2.5394003
• Log P: 2.5394354
• Molar Refractivity: 102.3485 cm^3
• Polarizability: 35.272945 Å^3
• Polar Surface Area: 69.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.78
• LOG S: -3.07
• Polar Surface Area: 69.04 Å^2
• Rotatable Bonds: 5