N-(2,3-dihydro-1H-inden-2-yl)-2-(1H-imidazol-2-yl)-N-methylbenzamide

• ChemBase ID: 607418
• Molecular Formular: C20H19N3O
• Molecular Mass: 317.38436
• Monoisotopic Mass: 317.15281224
• SMILES: C(=O)(N(C1Cc2c(C1)cccc2)C)c1c(c2ncc[nH]2)cccc1
• Canonical SMILES: CN(C(=O)c1ccccc1c1ncc[nH]1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C20H19N3O/c1-23(16-12-14-6-2-3-7-15(14)13-16)20(24)18-9-5-4-8-17(18)19-21-10-11-22-19/h2-11,16H,12-13H2,1H3,(H,21,22)
• InChIKey: CFFXLGUNDYNKLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-2-(1H-imidazol-2-yl)-N-methylbenzamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-2-(1H-imidazol-2-yl)-N-methylbenzamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-2-(1H-imidazol-2-yl)-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.354505
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.724701
• LogD (pH = 7.4): 3.2713883
• Log P: 3.2903283
• Molar Refractivity: 105.3336 cm^3
• Polarizability: 36.492107 Å^3
• Polar Surface Area: 48.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.86
• LOG S: -3.1
• Polar Surface Area: 48.99 Å^2
• Rotatable Bonds: 3