1-(4-Chlorophenyl)-2-(1h-imidazol-1-yl)-1-ethanone

The 1-(4-Chlorophenyl)-2-(1h-imidazol-1-yl)-1-ethanone, with the CAS registry number 24155-32-6, is also known as Ethanone, 1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)-. Its EINECS number is 246-040-4. This chemical's molecular formula is C₁₁H₉ClN₂O and molecular weight is 220.65. What's more, its IUPAC name is 1-(4-chlorophenyl)-2-imidazol-1-ylethanone.

Physical properties of 1-(4-Chlorophenyl)-2-(1h-imidazol-1-yl)-1-ethanone are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 3.86; (6)ACD/BCF (pH 7.4): 17.18; (7)ACD/KOC (pH 5.5): 59.17; (8)ACD/KOC (pH 7.4): 263.09; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 60.6 cm³; (15)Molar Volume: 174.7 cm³; (16)Polarizability: 24.02×10^-24cm³; (17)Surface Tension: 47.1 dyne/cm; (18)Density: 1.26 g/cm³; (19)Flash Point: 221.6 °C; (20)Enthalpy of Vaporization: 70.03 kJ/mol; (21)Boiling Point: 442.7 °C at 760 mmHg; (22)Vapour Pressure: 4.9E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by 1H-imidazole and 2-bromo-1-(4-chloro-phenyl)-ethanone. This reaction will need solvent acetone with the reaction time of 12 hours. The yield is about 76%.

Uses of 1-(4-Chlorophenyl)-2-(1h-imidazol-1-yl)-1-ethanone: it can be used to produce 1-(4-chloro-phenyl)-2-imidazol-1-yl-ethanol by heating. It will need reagent NaBH₄ and solvent ethanol with the reaction time of 3 hours. The yield is about 70%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1)Cn2ccnc2
(2)Std. InChI: InChI=1S/C11H9ClN2O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8H,7H2
(3)Std. InChIKey: PWFVNVYRKXDPGV-UHFFFAOYSA-N