2-(2-Chlorophenyl)-4,5-diphenylimidazole-1,2'-dimer

The 1H-Imidazole,2-(4-chlorophenyl)-4,5-diphenyl-, with CAS registry number 5496-32-2, has the systematic name of 2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole. Besides this, it is also called 2-(2-chlorophenyl)-4,5-diphenylimidazole. And the chemical formula of  this chemical is C₂₁H₁₅ClN₂. What's more, its EINECS is 216-951-1.

Physical properties of 1H-Imidazole,2-(4-chlorophenyl)-4,5-diphenyl-: (1)ACD/LogP: 5.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.02; (4)ACD/LogD (pH 7.4): 5.11; (5)ACD/BCF (pH 5.5): 3648.16; (6)ACD/BCF (pH 7.4): 4483.43; (7)ACD/KOC (pH 5.5): 11628.23; (8)ACD/KOC (pH 7.4): 14290.59; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 97.44 cm³; (15)Molar Volume: 268.7 cm³; (16)Polarizability: 38.63×10^-24cm³; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 307.8 °C; (20)Enthalpy of Vaporization: 78.06 kJ/mol; (21)Boiling Point: 534.8 °C at 760 mmHg; (22)Vapour Pressure: 5.67E-11 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-chloro-N-(2-oxo-1,2-diphenyl-ethyl)-benzamide. This reaction will need reagent AcONH₄ and solvent acetic acid. The reaction time is 1 hour(s). The yield is about 79%.

Uses of 1H-Imidazole,2-(4-chlorophenyl)-4,5-diphenyl-: it can be used to produce 2-(4-chloro-phenyl)-4,6-diphenyl-[1,3,5]triazine. This reaction will need reagents O₂, NH₄OAc and solvent methanol. The reaction time is 5 hour(s). The yield is about 64%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1c2nc(c(n2)c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C21H15ClN2/c22-18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16/h1-14H,(H,23,24)
(3)InChIKey: NSWNXQGJAPQOID-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C21H15ClN2/c22-18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16/h1-14H,(H,23,24)
(5)Std. InChIKey: NSWNXQGJAPQOID-UHFFFAOYSA-N