Medetomidine

The 1H-Imidazole, 5-[1-(2, 3-dimethylphenyl)ethyl]-, with the CAS registry number of 86347-14-0, is also known as Medetomidine and 4-[1-(2, 3-Dimethylphenyl)ethyl]-1H-imidazole. This chemical's molecular formula is C₁₃H₁₆N₂ and molecular weight is 200.2795. What's more, its IUPAC name is 5-[1-(2, 3-Dimethylphenyl)ethyl]-1H-imidazole. This chemical's classification codes are Adrenergic Agents; Adrenergic Agonists; Adrenergic Alpha-agonists; Analgesics; Analgesics, Non-narcotic; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Neurotransmitter Agents; Peripheral Nervous System Agents; Sensory System Agents.

Physical properties about 1H-Imidazole, 5-[1-(2, 3-dimethylphenyl)ethyl]- are: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 4.96; (6)ACD/BCF (pH 7.4): 98.09; (7)ACD/KOC (pH 5.5): 43.05; (8)ACD/KOC (pH 7.4): 851.05; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 62.37 cm³; (15)Molar Volume: 190.1 cm³; (16)Polarizability: 24.72×10^-24 cm³; (17)Surface Tension: 42.5 dyne/cm; (18)Density: 1.053 g/cm³; (19)Flash Point: 191.3 °C; (20)Enthalpy of Vaporization: 60.55 kJ/mol; (21)Boiling Point: 381.9 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1cc(nc1)C(c2c(c(ccc2)C)C)C
(2) InChI: InChI=1/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)
(3) InChIKey: CUHVIMMYOGQXCV-UHFFFAOYAH