CAS 614-97-1 | 5-Methyl-1H-benzo[d]imidazole | CAS Number 614-97-1

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614-97-1 | 5-Methyl-1H-benzo[d]imidazole

CAS No: 614-97-1 Catalog No: AG0034AN MDL No:MFCD00010740

Product Description

Catalog Number:

AG0034AN

Chemical Name:

5-Methyl-1H-benzo[d]imidazole

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

132.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

132.166g/mol

Monoisotopic Mass:

132.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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