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15788-16-6 | 5-Benzimidazolecarboxylic acid
CAS No: 15788-16-6 Catalog No: AG001PSW MDL No:MFCD03225617
Product Description
Catalog Number:
AG001PSW
Chemical Name:
5-Benzimidazolecarboxylic acid
CAS Number:
15788-16-6
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD03225617
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 |
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