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295790-49-7

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Basic Information
CAS No.: 295790-49-7
Name: 5-FLUORO-2-PIPERIDIN-4-YL-1H-BENZOIMIDAZOLE
Molecular Structure:
Molecular Structure of 295790-49-7 (5-FLUORO-2-PIPERIDIN-4-YL-1H-BENZOIMIDAZOLE)
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: IrritantXi
Risk Codes: 25
Safety: 45
PSA: 40.71000
LogP: 2.49780
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Specification

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