390811-95-7

Basic information

• Product Name: 1-CYCLOHEXYL-2-(3-FURANYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID
• Synonyms: 1-CYCLOHEXYL-2-(3-FURANYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID;1-cyclohexyl-2-(3-furanyl)-
• CAS NO: 390811-95-7
• Molecular Formula: C₁₈H₁₈N₂O₃
• Molecular Weight: 310.34712
• Mol File: 390811-95-7.mol
• Article Data: 3

Chemical Properties

• Melting Point: >280 °C (decomp)
• Boiling Point: 553 °C at 760 mmHg
• Flash Point: 288.3 °C
• Appearance: /
• Density: 1.38g/cm³
• Vapor Pressure: 4.58E-13mmHg at 25°C
• Refractive Index: 1.684
• PKA: 2.84±0.30(Predicted)
• CAS DataBase Reference: 1-CYCLOHEXYL-2-(3-FURANYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 1-CYCLOHEXYL-2-(3-FURANYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID(390811-95-7)
• EPA Substance Registry System: 1-CYCLOHEXYL-2-(3-FURANYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID(390811-95-7)

Safety Data

• Hazardous Substances Data: 390811-95-7(Hazardous Substances Data)

Usage

General Description

1-CYCLOHEXYL-2-(3-FURANYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID is a chemical compound with a complex molecular structure. It is a derivative of benzimidazole, a heterocyclic compound with pharmaceutical and biological importance. The presence of furanyl and carboxylic acid groups suggests potential pharmacological activity. Benzimidazole derivatives have been studied for their potential use as antiparasitic, antiviral, and anticancer agents. This particular compound may have potential in drug discovery and development due to its unique structure and potential biological activity, making it valuable in the field of medicinal chemistry.

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)

Upstream product

• 87815-77-8 4-cyclohexylamino-3-nitrobenzoic acid ethyl ester 
• 108-91-8 cyclohexylamine 
• 16588-16-2 ethyl 4-chloro-3-nitrobenzoate 
• 347174-05-4 3-Amino-4-cyclohexylamino benzoic acid ethyl ester 
• 498-60-2 furan-3-carboxaldehyde 
• 871930-30-2 1-cyclohexyl-2-(furan-3-yl)-1H-benzimidazole-5-carboxylic acid ethyl ester 

Downstream Products

• 390809-69-5 2-[(1-cyclohexyl-2-furan-3-yl-1H-benzoimidazole-5-carbonyl)-amino]-3-(5-hydroxy-1H-indol-3-yl)-propionic acid methyl ester 
• 390810-83-0 2-[(1-cyclohexyl-2-furan-3-yl-1H-benzoimidazole-5-carbonyl)-amino]-3-(4-hydroxy-phenyl)-propionic acid 
• 871932-96-6 C₂₄H₂₅N₅O 
• 871930-35-7 1-cyclohexyl-2-(furan-3-yl)-1H-benzimidazole5-carboximidothioic acid methyl ester 
• 871929-77-0 1-cyclohexyl-2-(furan-3-yl)-1H-benzimidazole-5-carbothioic acid amide 

Relevant articles and documents

Development of safe one-pot synthesis of N-1- and C-2-substituted benzimidazole via reductive cyclization of o-nitroarylamine using Na 2S2O4

We report that the reductive cyclization of o-nitroarylamine with aldehyde using sodium dithionite (Na2S2O4) could be accelerated by addition of H2O, which made it possible to control the heat release of the reaction by semibatch-type operation. Safety evaluation was performed using DSC, ARSST, in situ IR analysis, and Multimax.

Viral polymerase inhibitors

A compound of the formula I: wherein: X is CH or N; Y is O or S; Z is OH, NH2, NMeR3, NHR3; OR3 or 5- or 6-membered heterocycle, having 1 to 4 heteroatoms selected from 0, N and S, said heterocycle being optionally substituted with from 1 to 4 substituents; A is N, COR7 or CR5, wherein R5 is H, halogen, or (C1-6) alkyl and R7 is H or (C1-6 alkyl), with the proviso that X and A are not both N; R6 is H, halogen, (C1-6 alkyl) or OR7, wherein R7 is H or (C1-6 alkyl); R1 is selected from the group consisting of 5- or 6-membered heterocycle having 1 to 4 heteroatoms selected from O, N, and S, phenyl, phenyl(C1-3)alkyl, (C2-6)alkenyl, phenyl(C2-6)alkenyl, (C3-6)cycloalkyl, (C1-6)alkyl, CF3, 9- or 10-membered heterobicycle having 1 to 4 heteroatoms selected from O, N and S, wherein said heterocycle, phenyl, phenyl(C2-6)alkenyl and phenyl(C1-3)alkyl), alkenyl, cycloalkyl, (C1-6)alkyl, and heterobicycle are all optionally substituted with from 1 to 4 substituents R2 is selected from (C1-6)alkyl, (C3-7)cycloalkyl, (C3-7)cycloalkyl(C1-3)alkyl, (C6-10)bicycloalkyl, adamantyl, phenyl, and pyridyl, all of which is optionally substituted with from1 to 4 substituents; R3 is selected from H, (C1-6)alkyl, (C3-6)cycloalkyl, (C36)cycloalkyl(C1-6)alkyl, (C6-10)aryl, (C6-10)aryl(C1-6)alkyl, (C2-6)alkenyl, (C3-6)cycloalkyl(C2-6)alkenyl, (C6-10)aryl(C2-6)alkenyl, N{(C1-6)alkyl}2, NHCOO(C1-6)alkyl(C6-10)aryl, NHCO(C6-10)aryl, (C1-6)alkyl-5- or 10-atom heterocycle, having 1 to 4 heteroatoms selected from O, N and S, and 5- or 10-atom heterocycle having 1 to 4 heteroatoms selected from O, N and S; wherein said alkyl, cycloalkyl, aryl, alkenyl and heterocycle are all optionally substituted with from 1 to 4 substituents; n is zero or 1; or a detectable derivative or salt thereof. The compounds of the invention may be used as inhibitors of hepatitis C virus replication. The invention further provides a method for treating or preventing hepatitis C virus infection.