2-Ethylbenzimidazole

The IUPAC name of 2-Ethylbenzimidazole is 2-ethyl-1H-benzimidazole. With the CAS registry number 1848-84-6, it is also named as 1H-Benzimidazole, 2-ethyl-. The product's category is benzimidazole. Besides, its molecular formula is C₉H₁₀N₂ and molecular weight is 146.19.

The other characteristics of this product can be summarized as: (1)EINECS: 217-433-8; (2)ACD/LogP: 2.11; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.1; (5)ACD/LogD (pH 7.4): 2.06; (6)ACD/BCF (pH 5.5): 2.34; (7)ACD/BCF (pH 7.4): 21.01; (8)ACD/KOC (pH 5.5): 33.17; (9)ACD/KOC (pH 7.4): 298.2; (10)H bond acceptors: 2; (11)H bond donors: 1; (12)Freely Rotating Bonds: 1; (13)Polar Surface Area: 17.82 Å²; (14)Index of Refraction: 1.641; (15)Molar Refractivity: 46.16 cm³; (16)Molar Volume: 127.9 cm³; (17)Polarizability: 18.3×10^-24cm³; (18)Surface Tension: 50.7 dyne/cm; (19)Density: 1.142 g/cm³; (20)Flash Point: 179.4 °C; (21)Enthalpy of Vaporization: 56.17 kJ/mol; (22)Boiling Point: 341.2 °C at 760 mmHg; (23)Vapour Pressure: 0.000161 mmHg at 25 °C.

Preparation of 2-Ethylbenzimidazole: this chemical can be prepared by Propionaldehyde and Benzene-1,2-diamine.



This reaction needs SOCl₂, SiO₂ and CH₂Cl₂ at temperature of 20 °C. The reaction time is 6 hours. The yield is 77 %.

Uses of 2-Ethylbenzimidazole: it can react with Iodomethane to get 2-Ethyl-1,3-dimethyl-benzimidazolium; iodide.



This reaction needs Na and Methanol at temperature of 100 °C. The reaction time is 3 hours. The yield is 77 %.

People can use the following data to convert to the molecule structure.
(1)SMILES:n2c1ccccc1nc2CC
(2)InChI:InChI=1/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)
(3)InChIKey:QHCCOYAKYCWDOJ-UHFFFAOYAO
(4)Std. InChI:InChI=1S/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)
(5)Std. InChIKey:QHCCOYAKYCWDOJ-UHFFFAOYSA-N

The toxicity data is as follows: