Home Carboxys 1-Cyclohexyl-2-(3-furanyl)-1h-benzimidazole-5-carboxylic acid

1-Cyclohexyl-2-(3-furanyl)-1h-benzimidazole-5-carboxylic acid

CAS No.:
390811-95-7
Catalog Number:
AG0076KU
Molecular Formula:
C18H18N2O3
Molecular Weight:
310.3471
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$470
- +
1g
95%
1 week
United States
$1119
- +
Product Description
Catalog Number:
AG0076KU
Chemical Name:
1-Cyclohexyl-2-(3-furanyl)-1h-benzimidazole-5-carboxylic acid
CAS Number:
390811-95-7
Molecular Formula:
C18H18N2O3
Molecular Weight:
310.3471
MDL Number:
MFCD09743847
IUPAC Name:
1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid
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)
InChI Key:
JTLQUCGDQKGJMM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)nc(n2C1CCCCC1)c1cocc1
Properties
Complexity:
438  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.132g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
310.353g/mol
Monoisotopic Mass:
310.132g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
N-Acetamideindolecarboxylic acid allosteric 'finger-loop' inhibitors of the hepatitis C virus NS5B polymerase: discovery and initial optimization studies. Bioorganic & medicinal chemistry letters 20100201
Pyrazolo[1,5-a]pyrimidine-based inhibitors of HCV polymerase. Bioorganic & medicinal chemistry letters 20091115
1-Cyclo-hexyl-2-(3-fur-yl)-1H-benzimidazole-5-carboxylic acid. Acta crystallographica. Section E, Structure reports online 20090901
Improved replicon cellular activity of non-nucleoside allosteric inhibitors of HCV NS5B polymerase: from benzimidazole to indole scaffolds. Bioorganic & medicinal chemistry letters 20061001
Finger loop inhibitors of the HCV NS5B polymerase: discovery and prospects for new HCV therapy. Current opinion in drug discovery & development 20060901
Parallel synthesis of pteridine derivatives as potent inhibitors for hepatitis C virus NS5B RNA-dependent RNA polymerase. Bioorganic & medicinal chemistry letters 20050201
Non-nucleoside benzimidazole-based allosteric inhibitors of the hepatitis C virus NS5B polymerase: inhibition of subgenomic hepatitis C virus RNA replicons in Huh-7 cells. Journal of medicinal chemistry 20041230
Binding mode determination of benzimidazole inhibitors of the hepatitis C virus RNA polymerase by a structure and dynamics strategy. Angewandte Chemie (International ed. in English) 20040820
Inhibitors of the HCV NS5B polymerase: new hope for the treatment of hepatitis C infections. Current opinion in investigational drugs (London, England : 2000) 20040801
Non-nucleoside inhibitors of the hepatitis C virus NS5B polymerase: discovery of benzimidazole 5-carboxylic amide derivatives with low-nanomolar potency. Bioorganic & medicinal chemistry letters 20040223
Non-nucleoside inhibitors of the hepatitis C virus NS5B polymerase: discovery and preliminary SAR of benzimidazole derivatives. Bioorganic & medicinal chemistry letters 20040105
Properties