Home Nitros 1H-Imidazole, 2-methyl-5-nitro-

1H-Imidazole, 2-methyl-5-nitro-

CAS No.:
88054-22-2
Catalog Number:
AG00IKF4
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
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Product Description
Catalog Number:
AG00IKF4
Chemical Name:
1H-Imidazole, 2-methyl-5-nitro-
CAS Number:
88054-22-2
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
MDL Number:
MFCD00005191
IUPAC Name:
2-methyl-5-nitro-1H-imidazole
InChI:
InChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)
InChI Key:
FFYTTYVSDVWNMY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc([nH]1)C
UNII:
24AG2WW15W
Properties
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.038g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
127.103g/mol
Monoisotopic Mass:
127.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
A comparative study on vibrational, conformational and electronic structure of 1,2-dimethyl-5-nitroimidazole and 2-methyl-5-nitroimidazole. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121101
Ethyl 2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetate. Acta crystallographica. Section E, Structure reports online 20101001
The application of resonance light scattering technique for the determination of tinidazole in drugs. Journal of automated methods & management in chemistry 20070101
Evaluation of 99mTc(CO)3 complex of 2-methyl-5-nitroimidazole as an agent for targeting tumor hypoxia. Bioorganic & medicinal chemistry 20061201
Radiosynthesis and evaluation of two novel 123I-labeled 2-methyl-4-nitroimidazole derivatives as potential infection imaging agents. Nuclear medicine and biology 20050501
[Synthesis and antibacterial activity of ciprofloxacin derivatives]. Yao xue xue bao = Acta pharmaceutica Sinica 20050201
Synthesis and anti-tuberculosis activity of N-aryl-C-nitroazoles. European journal of medicinal chemistry 20041001
Effect of the leaving group on the electrodic reduction mechanism of anti-Helicobacter pylori metronidazole derivatives, in aprotic and protic media. Bioelectrochemistry (Amsterdam, Netherlands) 20040601
Michael addition of imidazole with acrylates catalyzed by alkaline protease from Bacillus subtilis in organic media. Biotechnology letters 20040301
The effects of the substitution on the imidazole ligand on the photochemical properties of fac-[Mn(CO)3(phen)(Imidazole)](SO3CF3) complexes. Photochemistry and photobiology 20040101
Synthesis of N-alkylated derivatives of imidazole as antibacterial agents. Bioorganic & medicinal chemistry letters 20030901
[Synthesis and antibacterial activity of pyridonecarboxylic acid derivatives containing 2-methyl-5-nitroimidazol]. Yao xue xue bao = Acta pharmaceutica Sinica 20030401
Synthesis of 3'-azolyl-2',3'-dideoxyhexose nucleosides. Acta chemica Scandinavica (Copenhagen, Denmark : 1989) 19980701
Properties