2-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-1-yl]-N-(2-methylphenyl)acetamide

• ChemBase ID: 630000
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: c1(c2cc3c(cc2OC)CCC3)n(CC(=O)Nc2c(C)cccc2)ccn1
• Canonical SMILES: COc1cc2CCCc2cc1c1nccn1CC(=O)Nc1ccccc1C
• InChI: InChI=1S/C22H23N3O2/c1-15-6-3-4-9-19(15)24-21(26)14-25-11-10-23-22(25)18-12-16-7-5-8-17(16)13-20(18)27-2/h3-4,6,9-13H,5,7-8,14H2,1-2H3,(H,24,26)
• InChIKey: BMJGYRCORJRIKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-1-yl]-N-(2-methylphenyl)acetamide
• IUPAC Traditional name: 2-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]-N-(2-methylphenyl)acetamide
• Synonyms: 2-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-1-yl]-N-(2-methylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.466358
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.9623358
• LogD (pH = 7.4): 4.368753
• Log P: 4.378943
• Molar Refractivity: 117.7586 cm^3
• Polarizability: 40.811104 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.82
• LOG S: -5.1
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5