2-(diphenylmethyl)-1H-imidazole

• ChemBase ID: 675970
• Molecular Formular: C16H14N2
• Molecular Mass: 234.29576
• Monoisotopic Mass: 234.11569846
• SMILES: c1(ncc[nH]1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C(c1ncc[nH]1)c1ccccc1
• InChI: InChI=1S/C16H14N2/c1-3-7-13(8-4-1)15(16-17-11-12-18-16)14-9-5-2-6-10-14/h1-12,15H,(H,17,18)
• InChIKey: BLJQGZXRECZHOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diphenylmethyl)-1H-imidazole
• IUPAC Traditional name: 2-(diphenylmethyl)-1H-imidazole
• Synonyms: 2-(diphenylmethyl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.033063
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.632918
• LogD (pH = 7.4): 3.4180226
• Log P: 3.4889705
• Molar Refractivity: 72.8449 cm^3
• Polarizability: 28.14136 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 3.14
• LOG S: -3.59
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 3