2-HEPTYLBENZIMIDAZOLE (5851-49-0)

The 2-Heptylbenzimidazole with the CAS number 5851-49-0 is also called 1H-Benzimidazole,2-heptyl-. The systematic name is 2-heptyl-1H-benzimidazole. Its molecular formula is C₁₄H₂₀N₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 2-Heptylbenzimidazole are: (1)ACD/LogP: 4.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.68; (4)ACD/LogD (pH 7.4): 4.7; (5)ACD/BCF (pH 5.5): 201.48; (6)ACD/BCF (pH 7.4): 2140.6; (7)ACD/KOC (pH 5.5): 762.94; (8)ACD/KOC (pH 7.4): 8105.83; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 69.33 cm³; (15)Molar Volume: 210.4 cm³; (16)Polarizability: 27.48×10^-24cm³; (17)Surface Tension: 43.4 dyne/cm; (18)Enthalpy of Vaporization: 61.68 kJ/mol; (19)Vapour Pressure: 5.28×10^-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c1ccccc1nc2CCCCCCC
(2)InChI: InChI=1/C14H20N2/c1-2-3-4-5-6-11-14-15-12-9-7-8-10-13(12)16-14/h7-10H,2-6,11H2,1H3,(H,15,16)
(3)InChIKey: RJRKURJUHLRUPD-UHFFFAOYAV