Chemical Properties of 1-([1,1'-biphenyl]-4-yl(phenyl)methyl)-1H-imidazole

InChI

InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H

InChI Key

OCAPBUJLXMYKEJ-UHFFFAOYSA-N

Formula

C22H18N2

SMILES

c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1

Molecular Weight¹

310.40

Other Names

• Bifonazole

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	5.188		Crippen Calculated Property
McVol	250.060	ml/mol	McGowan Calculated Property
Tfus	[415.15; 423.00]	K
Tfus	423.00	K	Solubility and pKa of select pharmaceuticals in water, ethanol, and 1-octanol
Tfus	415.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 1-([1,1'-biphenyl]-4-yl(phenyl)methyl)-1H-imidazole.

Mixtures

• Water + 1-([1,1'-biphenyl]-4-yl(phenyl)methyl)-1H-imidazole
• Ethanol + 1-([1,1'-biphenyl]-4-yl(phenyl)methyl)-1H-imidazole
• 1-Octanol + 1-([1,1'-biphenyl]-4-yl(phenyl)methyl)-1H-imidazole
• Methyl Alcohol + Water + 1-([1,1'-biphenyl]-4-yl(phenyl)methyl)-1H-imidazole
• 1-Propanol + Water + 1-([1,1'-biphenyl]-4-yl(phenyl)methyl)-1H-imidazole
• 2-Propanol + Water + 1-([1,1'-biphenyl]-4-yl(phenyl)methyl)-1H-imidazole
• Propylene Glycol + Water + 1-([1,1'-biphenyl]-4-yl(phenyl)methyl)-1H-imidazole
• Methyl Alcohol + 1-([1,1'-biphenyl]-4-yl(phenyl)methyl)-1H-imidazole
• 1-Propanol + 1-([1,1'-biphenyl]-4-yl(phenyl)methyl)-1H-imidazole
• 2-Propanol + 1-([1,1'-biphenyl]-4-yl(phenyl)methyl)-1H-imidazole
• Propylene Glycol + 1-([1,1'-biphenyl]-4-yl(phenyl)methyl)-1H-imidazole

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Solubility and pKa of select pharmaceuticals in water, ethanol, and 1-octanol
• Solubility of Bifonazole in Four Binary Solvent Mixtures: Experimental Measurement and Thermodynamic Modeling
• McGowan Method

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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