The Benzimidazole, with the CAS registry number 51-17-2 and EINECS registry number 200-081-4, has the systematic name of 1H-benzimidazole. And the molecular formula of this chemical is C₇H₆N₂. It is a heterocyclic aromatic organic compound with the apperance of white crystals, and it belongs to the following product categories: Benzimidazole; Pharmaceutical Intermediates; Intermediates; Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines; Imidazol & Benzimidazole; Imidaxoles. In addition, it is used in the determination of cobalt.

The physical properties of Benzimidazole are as following: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.989; (4)ACD/LogD (pH 7.4): 1.314; (5)ACD/BCF (pH 5.5): 2.768; (6)ACD/BCF (pH 7.4): 5.847; (7)ACD/KOC (pH 5.5): 58.082; (8)ACD/KOC (pH 7.4): 122.701; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å²; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 36.62 cm³; (15)Molar Volume: 95.095 cm³; (16)Polarizability: 14.517×10^-24cm³; (17)Surface Tension: 60.176 dyne/cm; (18)Density: 1.242 g/cm³; (19)Flash Point: 208.439 °C; (20)Enthalpy of Vaporization: 58.181 kJ/mol; (21)Boiling Point: 360 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of Benzimidazole: The synthesis involves condensation of o-phenylenediamine with formic acid, or the equivalent trimethyl orthoformate:
C₆H₄(NH₂)₂ + HC(OCH₃)₃ → C₆H₄N(NH)CH + 3 CH₃OH

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)[nH]cn2
(2)InChI: InChI=1/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
(3)InChIKey: HYZJCKYKOHLVJF-UHFFFAOYAX

The toxicity data is as follows: