Home Carboxys 1H-Benzimidazole-5-carboxylic acid

1H-Benzimidazole-5-carboxylic acid

CAS No.:
15788-16-6
Catalog Number:
AG001PSW
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$20
- +
25g
97%
In Stock USA
United States
$63
- +
100g
97%
In Stock USA
United States
$197
- +
Product Description
Catalog Number:
AG001PSW
Chemical Name:
1H-Benzimidazole-5-carboxylic acid
CAS Number:
15788-16-6
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD00011555
IUPAC Name:
3H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C8H6N2O2/c11-8(12)5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)(H,11,12)
InChI Key:
COYPLDIXZODDDL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)[nH]cn2
EC Number:
605-112-9
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Fragment-based design of symmetrical bis-benzimidazoles as selective inhibitors of the trimethoprim-resistant, type II R67 dihydrofolate reductase. Journal of medicinal chemistry 20120412
Ethyl 1-(2-hy-droxy-eth-yl)-2-propyl-1H-benzimidazole-5-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20111001
Poly[μ-aqua-diaqua(μ(3)-1H-benzimid-azole-5-carboxylato-κN:O,O')(μ(2)-1H-benzimidazole-5-carboxylato-κN:O:O')-μ(5)-sulfato-μ(4)-sulfato-tri-cadmium]. Acta crystallographica. Section E, Structure reports online 20110901
Development of imidazole alkanoic acids as mGAT3 selective GABA uptake inhibitors. European journal of medicinal chemistry 20110501
Flexible and asymmetric ligand in constructing coordinated complexes: synthesis, crystal structures and fluorescent characterization. International journal of molecular sciences 20110101
Synthesis and antitumor activity of novel benzimidazole-5-carboxylic acid derivatives and their transition metal complexes as topoisomerease II inhibitors. European journal of medicinal chemistry 20101201
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
1-(5-Carboxyindol-1-yl)propan-2-ones as inhibitors of human cytosolic phospholipase A2alpha: synthesis and properties of bioisosteric benzimidazole, benzotriazole and indazole analogues. Bioorganic & medicinal chemistry letters 20090415
New transition metal ion complexes with benzimidazole-5-carboxylic acid hydrazides with antitumor activity. European journal of medicinal chemistry 20090401
Discovery, SAR and X-ray structure of 1H-benzimidazole-5-carboxylic acid cyclohexyl-methyl-amides as inhibitors of inducible T-cell kinase (Itk). Bioorganic & medicinal chemistry letters 20081015
Double fluorescence conversion in ultraviolet and visible region for some praseodymium complexes of aromatic carboxylates. Journal of fluorescence 20060701
Synthesis and potent antimicrobial activity of some novel methyl or ethyl 1H-benzimidazole-5-carboxylates derivatives carrying amide or amidine groups. Bioorganic & medicinal chemistry 20050301
Methods for generation of monoclonal antibodies to the very small drug hapten, 5-benzimidazolecarboxylic acid. Journal of immunological methods 20021220
Properties