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CAS No.: | 2622-67-5 |
---|---|
Name: | 1,2-Diphenyl-1H-benzimidazole |
Article Data: | 74 |
Molecular Structure: | |
Formula: | C19H14N2 |
Molecular Weight: | 270.334 |
Synonyms: | Benzimidazole,1,2-diphenyl- (6CI,7CI,8CI);NSC 99050;1,2-Diphenylbenzimidazole; |
Density: | 1.127 g/cm3 |
Melting Point: | 111 °C |
Boiling Point: | 468.569 °C at 760 mmHg |
Flash Point: | 237.182 °C |
PSA: | 17.82000 |
LogP: | 4.69250 |
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1,2-Diphenyl-1H-benzimidazole, with the CAS registry number 2622-67-5, it is also named as 1,2-Diphenylbenzimidazole. This chemical's molecular formula is C19H14N2 and molecular weight is 270.33. What's more, its systematic name is 1,2-Diphenyl-1H-benzimidazole.
Physical properties of 1,2-Diphenyl-1H-benzimidazole are: (1)ACD/LogP: 5.818; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.80; (4)ACD/LogD (pH 7.4): 5.82; (5)ACD/BCF (pH 5.5): 14870.49; (6)ACD/BCF (pH 7.4): 15536.59; (7)ACD/KOC (pH 5.5): 33316.46; (8)ACD/KOC (pH 7.4): 34808.83; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 86.924 cm3; (15)Molar Volume: 239.901 cm3; (16)Polarizability: 34.459×10-24cm3; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.127 g/cm3; (19)Flash Point: 237.182 °C; (20)Enthalpy of Vaporization: 73.077 kJ/mol; (21)Boiling Point: 468.569 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n2c1ccccc1n(c2c3ccccc3)c4ccccc4
(2)Std. InChI: InChI=1S/C19H14N2/c1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16/h1-14H
(3)Std. InChIKey: ZLGVZKQXZYQJSM-UHFFFAOYSA-N