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390811-95-7

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Basic Information
CAS No.: 390811-95-7
Name: 1-CYCLOHEXYL-2-(3-FURANYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 390811-95-7 (1-CYCLOHEXYL-2-(3-FURANYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID)
Formula: C18H18N2O3
Molecular Weight: 310.353
Synonyms: 1-CYCLOHEXYL-2-(3-FURANYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID;1-cyclohexyl-2-(3-furanyl)-
Density: 1.38g/cm3
Melting Point: >280 °C (decomp)
Boiling Point: 553 °C at 760 mmHg
Flash Point: 288.3 °C
PSA: 68.26000
LogP: 4.49970
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Specification

The 1H-Benzimidazole-5-carboxylicacid, 1-cyclohexyl-2-(3-furanyl)-, with CAS registry number 390811-95-7, has the systematic name of 1-cyclohexyl-2-(furan-3-yl)-1H-benzimidazole-5-carboxylic acid. And the chemical formula of this chemical is C18H18N2O3.

Physical properties of 1H-Benzimidazole-5-carboxylicacid, 1-cyclohexyl-2-(3-furanyl)-: (1)ACD/LogP: 4.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 47.38; (6)ACD/BCF (pH 7.4): 2.58; (7)ACD/KOC (pH 5.5): 177.71; (8)ACD/KOC (pH 7.4): 9.68; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.26 Å2; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 85.4 cm3; (15)Molar Volume: 224.8 cm3; (16)Polarizability: 33.85×10-24cm3; (17)Surface Tension: 55.7 dyne/cm; (18)Density: 1.38 g/cm3; (19)Flash Point: 288.3 °C; (20)Enthalpy of Vaporization: 87.73 kJ/mol; (21)Boiling Point: 553 °C at 760 mmHg; (22)Vapour Pressure: 4.58E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c4ccc2c(nc(c1ccoc1)n2C3CCCCC3)c4
(2)InChI: InChI=1/C18H18N2O3/c21-18(22)12-6-7-16-15(10-12)19-17(13-8-9-23-11-13)20(16)14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,21,22)
(3)InChIKey: JTLQUCGDQKGJMM-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C18H18N2O3/c21-18(22)12-6-7-16-15(10-12)19-17(13-8-9-23-11-13)20(16)14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,21,22)
(5)Std. InChIKey: JTLQUCGDQKGJMM-UHFFFAOYSA-N