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CAS No.: | 295790-49-7 |
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Name: | 5-FLUORO-2-PIPERIDIN-4-YL-1H-BENZOIMIDAZOLE |
Molecular Structure: | |
Formula: | C12H14FN3 |
Molecular Weight: | 219.262 |
Synonyms: | 1H-Benzimidazole,5-fluoro-2-(4-piperidinyl)- (9CI);5-Fluoro-2-piperidin-4-yl-1H-benzimidazole;5-Fluoro-2-(4-piperidyl)benzimidazole; |
EINECS: | 604-604-1 |
Density: | 1.242 g/cm3 |
Boiling Point: | 444.98 °C at 760 mmHg |
Flash Point: | 222.916 °C |
Hazard Symbols: | Xi |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 40.71000 |
LogP: | 2.49780 |
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The 1H-Benzimidazole,6-fluoro-2-(4-piperidinyl)-, with the CAS registry number 295790-49-7, is also known as 5-Fluoro-2-(4-piperidyl)benzimidazole. This chemical's molecular formula is C12H14FN3 and molecular weight is 219.26. What's more, its systematic name is 5-fluoro-2-(piperidin-4-yl)-1H-benzimidazole.
Physical properties of 1H-Benzimidazole,6-fluoro-2-(4-piperidinyl)- are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 40.71 Å2; (11)Index of Refraction: 1.61; (12)Molar Refractivity: 61.212 cm3; (13)Molar Volume: 176.543 cm3; (14)Polarizability: 24.266×10-24cm3; (15)Surface Tension: 50.713 dyne/cm; (16)Density: 1.242 g/cm3; (17)Flash Point: 222.916 °C; (18)Enthalpy of Vaporization: 70.289 kJ/mol; (19)Boiling Point: 444.98 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc2nc(nc2c1)C3CCNCC3
(2)InChI: InChI=1S/C12H14FN3/c13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2,(H,15,16)
(3)InChIKey: QYXWQIBLHVTQQX-UHFFFAOYSA-N