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Home Other Building Blocks 5-Methylbenzimidazole

5-Methylbenzimidazole

CAS No.:
614-97-1
Catalog Number:
AG0034AN
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$15
- +
5g
98%
In Stock USA
United States
$33
- +
25g
98%
In Stock USA
United States
$82
- +
100g
98%
In Stock USA
United States
$288
- +
Product Description
Catalog Number:
AG0034AN
Chemical Name:
5-Methylbenzimidazole
CAS Number:
614-97-1
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
MDL Number:
MFCD00010740
IUPAC Name:
6-methyl-1H-benzimidazole
InChI:
InChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)
InChI Key:
RWXZXCZBMQPOBF-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc[nH]2
EC Number:
210-401-4
UNII:
R56855UC8Y
NSC Number:
3826
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.069g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
132.166g/mol
Monoisotopic Mass:
132.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Effect of substitution on the antimycobacterial activity of 2-(substituted benzyl)sulfanyl benzimidazoles, benzoxazoles, and benzothiazoles--a quantitative structure-activity relationship study. Chemical & pharmaceutical bulletin 20110101
Molecular structure and vibrational spectra of 2- and 5-methylbenzimidazole molecules by density functional theory. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100701
2-Meth-oxy-6-(6-methyl-1H-benzimidazol-2-yl)phenol. Acta crystallographica. Section E, Structure reports online 20090601
The screening and characterization of 6-aminopurine-based xanthine oxidase inhibitors. Bioorganic & medicinal chemistry 20070515
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
New benzimidazole derivatives as antimycobacterial agents. Farmaco (Societa chimica italiana : 1989) 20020401
Structural investigation of the biosynthesis of alternative lower ligands for cobamides by nicotinate mononucleotide: 5,6-dimethylbenzimidazole phosphoribosyltransferase from Salmonella enterica. The Journal of biological chemistry 20011005
Properties