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5-Methyl-2-pyridin-2-yl-1H-benzoimidazole - 10mM in DMSO, high purity , CAS No.7471-12-7
Basic Description
Synonyms
CS-0626545 | 5-methyl-2-pyridin-2-yl-1(3)H-benzoimidazole | UNII-9RVR7V4EAG | 6-methyl-2-pyridin-2-yl-1H-benzimidazole | 6-methyl-2-pyridin-2-yl-1h-benzo[d]imidazole | Z666480414 | HY-148442 | BDBM50180733 | WAY-324820-A | AKOS000636609 | ecMetAP-IN-1 | 9
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
corrosion inhibitor; Inhibitor of inv(16) leukemia; bind to wild-type CBFb and inhibit CBFb binding to RUNX proteins; methionine aminopeptidase inhibitor;
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzimidazoles
Alternative Parents
Pyridines and derivatives Benzenoids Imidazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Benzenoid - Pyridine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Product Properties
ALogP
3.034
hba_count
2
HBD Count
1
Rotatable Bond
1
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
6-methyl-2-pyridin-2-yl-1H-benzimidazole
INCHI
InChI=1S/C13H11N3/c1-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11/h2-8H,1H3,(H,15,16)
InChIKey
HFYFOFMVURXVSD-UHFFFAOYSA-N
Smiles
CC1=CC2=C(C=C1)N=C(N2)C3=CC=CC=N3
Isomeric SMILES
CC1=CC2=C(C=C1)N=C(N2)C3=CC=CC=N3
Molecular Weight
209.25
Reaxy-Rn
517964
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=517964&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mM) Max Solubility
10
Molecular Weight
209.250 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
209.095 Da
Monoisotopic Mass
209.095 Da
Topological Polar Surface Area
41.600 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
243.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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