1-(1-methyl-5-nitro-imidazol-2-yl)-N-(4-methylphenyl)methanimine

The Benzenamine,4-methyl-N-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylene]-, with CAS registry number 129661-57-0, has the systematic name of 4-methyl-N-[(E)-(1-methyl-5-nitro-1H-imidazol-2-yl)methylidene]aniline. Besides this, it is also called 1-(1-methyl-5-nitro-imidazol-2-yl)-N-(4-methylphenyl)methanimine. And the chemical formula of this chemical is C₁₂H₁₂N₄O₂.

Physical properties of Benzenamine,4-methyl-N-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylene]-: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 34.39; (6)ACD/BCF (pH 7.4): 34.39; (7)ACD/KOC (pH 5.5): 437.95; (8)ACD/KOC (pH 7.4): 437.96; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 76 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 68.1 cm³; (15)Molar Volume: 192.6 cm³; (16)Polarizability: 26.99×10^-24cm³; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.26 g/cm³; (19)Flash Point: 229.1 °C; (20)Enthalpy of Vaporization: 71.49 kJ/mol; (21)Boiling Point: 455.2 °C at 760 mmHg; (22)Vapour Pressure: 1.79E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-methyl-aniline and 1-methyl-5-nitro-1H-imidazole-2-carbaldehyde. This reaction will need solvent ethanol. The reaction time is 24 hour(s). The yield is about 84%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cnc(\C=N\c1ccc(cc1)C)n2C
(2)InChI: InChI=1/C12H12N4O2/c1-9-3-5-10(6-4-9)13-7-11-14-8-12(15(11)2)16(17)18/h3-8H,1-2H3/b13-7+
(3)InChIKey: GFZGRQLCVBRLTL-NTUHNPAUBR
(4)Std. InChI: InChI=1S/C12H12N4O2/c1-9-3-5-10(6-4-9)13-7-11-14-8-12(15(11)2)16(17)18/h3-8H,1-2H3/b13-7+
(5)Std. InChIKey: GFZGRQLCVBRLTL-NTUHNPAUSA-N