2,6-Bis(2-benzimidazolyl)pyridine - ≥98% , CAS No.28020-73-7

CAS: 28020-73-7 Cat. No.: B123354 Molecular Weight: 311.34 EC Number: 624-875-9

GRADE & PURITY ≥98%

Synonyms

2-(6-(1H-benzo[d]imidazol-2-yl)pyridin-2-yl)-1H-benzo[d]imidazole;2,6-Bis(benzimidazol-2-yl)pyridine | J-016946 | 2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole | STL296117 | T70711 | 2,6-Bis(1H-benzo[d]imidazol-2-yl)pyridine | B3510 | SR-0100063

Storage

Room temperature

Shipped In

Normal

Overview

2,6-Bis(2-benzimidazolyl)pyridine acts as tridentate nitrogen donor ligand and reacts with UO2Cl2·3THF to form complexes. It is reported as an efficient anion receptor providing chemical shift and optical modification based signals for the detection of acetate ions. 2,6-bis(2-benzimidazolyl)pyridine is a V-shaped ligand and its picrate Mn(II) complex has been prepared.[3] 2,6-Bis(2-benzimidazolyl)pyridine is also reported as an optical sensor useful for the aniline recognition

2,6-Bis(2-benzimidazolyl)pyridine may be employed as a chemosensor for the detection of fluoride ions. It may be used as a sensor for the detection of toxic metabolites of benzene such as phenol, hydroquinone, resorcinol, catechol and p-benzoquinone

Specifications

Synonyms

2-(6-(1H-benzo[d]imidazol-2-yl)pyridin-2-yl)-1H-benzo[d]imidazole;2, 6-Bis(benzimidazol-2-yl)pyridine | J-016946 | 2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole | STL296117 | T70711 | 2, 6-Bis(1H-benzo[d]imidazol-2-yl)pyridine | B3510 | SR-0100063

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504760091
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760091
• Canonical Smiles: C1=CC=C2C(=C1)NC(=N2)C3=NC(=CC=C3)C4=NC5=CC=CC=C5N4
• IUPAC Name: 2-[6-(1H-benzimidazol-2-yl)pyridin-2-yl]-1H-benzimidazole
• InChIKey: JBKICBDXAZNSKA-UHFFFAOYSA-N
• INCHI: 1S/C19H13N5/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19/h1-11H,(H,21,22)(H,23,24)
• Isomeric SMILES: C1=CC=C2C(=C1)NC(=N2)C3=NC(=CC=C3)C4=NC5=CC=CC=C5N4
• WGK Germany: 3
• Molecular Weight: 311.34
• Reaxy-Rn: 1151552
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1151552&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles

• 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 Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Benzenoid - Pyridine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

Huh-7 (12904 Activities)

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Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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Plasmodium yoelii (6656 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 353°C
• Molecular Weight: 311.300 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 311.117 Da
• Monoisotopic Mass: 311.117 Da
• Topological Polar Surface Area: 70.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 405.000
• 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

References

1. Li Ping Cao, Yao Wang, Yan Bai, Yong Jian Jiang, Chun Mei Li, Yuan Fang Li, Cheng Zhi Huang, Shu Jun Zhen.  (2022)  Metal–organic gel coupled entropy-driven circuit for fluorescence detection of miR-155.  Journal of Materials Chemistry C,  10  (48): (18258-18263).  [PMID:] [10.1039/D2TC03857A]

2. Zhe Wei Peng, Dan Yuan, Zhong Wei Jiang, Yuan Fang Li.  (2017)  Novel metal-organic gels of bis(benzimidazole)-based ligands with copper(II) for electrochemical selectively sensing of nitrite.  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2017.03.121]