Nizofenone

The Nizofenone is an organic compound with the formula C₂₁H₂₁ClN₄O₃. The IUPAC name of this chemical is (2-chlorophenyl)-[2-[2-(diethylaminomethyl)imidazol-1-yl]-5-nitrophenyl]methanone. With the CAS registry number 54533-85-6, it is also named as 2-{2-[(diethylamino)methyl]imidazolyl}-5-nitrophenyl 2-chlorophenyl ketone. The product's classification codes are Anti-arrhythmia Agents; Cardiovascular Agents; Central Nervous System Agents; Neuroprotective Agents; Protective Agents. Besides, it is a psychostimulant/nootropic. It has been shown to have neuroprotective effects and protects neurons from death following cerebral anoxia (interruption of oxygen supply to the brain). It might thus be useful in the treatment of acute neurological conditions such as stroke.

Physical properties about Nizofenone are: (1)ACD/LogP: 4.25; (2)ACD/LogD (pH 5.5): 1.43; (3)ACD/LogD (pH 7.4): 2.98; (4)ACD/BCF (pH 5.5): 1.5; (5)ACD/BCF (pH 7.4): 54.35; (6)ACD/KOC (pH 5.5): 7.35; (7)ACD/KOC (pH 7.4): 266.02; (8)#H bond acceptors: 7 ; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 83.95 Å²; (11)Index of Refraction: 1.623; (12)Molar Refractivity: 113.39 cm³; (13)Molar Volume: 321.4 cm³; (14)Polarizability: 44.95×10^-24cm³; (15)Surface Tension: 49.7 dyne/cm; (16)Density: 1.28 g/cm³; (17)Flash Point: 322.5 °C; (18)Enthalpy of Vaporization: 90.56 kJ/mol; (19)Boiling Point: 609.7 °C at 760 mmHg; (20)Vapour Pressure: 8.3E-15 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-(diethylamino-methyl) imidazole and dimethyl formamide. This reaction will need reagent Sodium hydride.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1C(=O)c3cc([N+]([O-])=O)ccc3n2ccnc2CN(CC)CC
(2)InChI: InChI=1/C21H21ClN4O3/c1-3-24(4-2)14-20-23-11-12-25(20)19-10-9-15(26(28)29)13-17(19)21(27)16-7-5-6-8-18(16)22/h5-13H,3-4,14H2,1-2H3
(3)InChIKey: WZGBZLHGOVJDET-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C21H21ClN4O3/c1-3-24(4-2)14-20-23-11-12-25(20)19-10-9-15(26(28)29)13-17(19)21(27)16-7-5-6-8-18(16)22/h5-13H,3-4,14H2,1-2H3
(5)Std. InChIKey: WZGBZLHGOVJDET-UHFFFAOYSA-N