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1H-Imidazole,2-(2-furanyl)-1-(phenylmethyl)-

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Name

1H-Imidazole,2-(2-furanyl)-1-(phenylmethyl)-

EINECS N/A
CAS No. 701224-54-6 Density 1.15 g/cm3
PSA 30.96000 LogP 3.19140
Solubility N/A Melting Point N/A
Formula C14H12N2O Boiling Point 410.7 °C at 760 mmHg
Molecular Weight 224.25788 Flash Point 202.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 701224-54-6 (1-BENZYL-2-FURAN-2-YL-1H-IMIDAZOLE) Hazard Symbols N/A
Synonyms

1-BENZYL-2-FURAN-2-YL-1H-IMIDAZOLE

 

1H-Imidazole,2-(2-furanyl)-1-(phenylmethyl)- Specification

The 1H-Imidazole,2-(2-furanyl)-1-(phenylmethyl)-, with the CAS registry number 701224-54-6, is also known as 1-Benzyl-2-(2-furyl)-1H-imidazole. This chemical's molecular formula is C14H12N2O and molecular weight is 224.25788. What's more, its IUPAC name and systematic name are the same which is called 1-Benzyl-2-(furan-2-yl)-1H-imidazole.

Physical properties about 1H-Imidazole,2-(2-furanyl)-1-(phenylmethyl)-: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 30.96 Å2; (7)Index of Refraction: 1.614; (8)Molar Refractivity: 67.81 cm3; (9)Molar Volume: 194.4 cm3; (10)Surface Tension: 44.9 dyne/cm; (11)Density: 1.15 g/cm3; (12)Flash Point: 202.2 °C; (13)Enthalpy of Vaporization: 66.3 kJ/mol; (14)Boiling Point: 410.7 °C at 760 mmHg; (15)Vapour Pressure: 5.93E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1ccn(c1c2occc2)Cc3ccccc3
(2) InChI: InChI=1/C14H12N2O/c1-2-5-12(6-3-1)11-16-9-8-15-14(16)13-7-4-10-17-13/h1-10H,11H2
(3) InChIKey: XDSFJXOLVUTTJG-UHFFFAOYAJ

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