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| CAS No.: | 2622-60-8 |
|---|---|
| Name: | 1-PHENYL-1H-BENZOIMIDAZOLE |
| Article Data: | 190 |
| Molecular Structure: | |
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| Formula: | C13H10N2 |
| Molecular Weight: | 194.236 |
| Synonyms: | Benzimidazole,1-phenyl- (6CI,7CI,8CI);1-Phenyl-1H-benzimidazole;1-Phenylbenzimidazole;N-Phenylbenzimidazole; |
| Density: | 1.13 g/cm3 |
| Melting Point: | 98℃ |
| Boiling Point: | 363 °C at 760 mmHg |
| Flash Point: | 173.3 °C |
| PSA: | 17.82000 |
| LogP: | 3.02550 |
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Specification
The 1H-Benzimidazole, 1-phenyl-, with the CAS registry number of 2622-60-8, is also known as 1-Phenylbenzimidazole. It belongs to the product categories of Benzimidazole; Pharmacetical. This chemical's molecular formula is C13H10N2 and molecular weight is 194.23. What's more, its systematic name is called 1-Phenyl-1H-benzimidazole.
Physical properties about 1H-Benzimidazole, 1-phenyl- are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 240.5; (6)ACD/BCF (pH 7.4): 336.97; (7)ACD/KOC (pH 5.5): 1598.65; (8)ACD/KOC (pH 7.4): 2239.86; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 61.81 cm3; (15)Molar Volume: 171.8 cm3; (16)Surface Tension: 45.3 dyne/cm; (17)Density: 1.13 g/cm3; (18)Flash Point: 173.3 °C; (19)Enthalpy of Vaporization: 60.9 kJ/mol; (20)Boiling Point: 363 °C at 760 mmHg; (21)Vapour Pressure: 1.86E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n2c1ccccc1n(c2)c3ccccc3
(2) InChI: InChI=1/C13H10N2/c1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15/h1-10H
(3) InChIKey: XNCMQRWVMWLODV-UHFFFAOYAA