2-(2-Pyridyl)benzimidazole - ≥98% , CAS No.1137-68-4

CAS: 1137-68-4 Cat. No.: W131708 Molecular Weight: 195.22 EC Number: 214-508-7 PubChem CID: 70821

GRADE & PURITY ≥98%

Synonyms

Benzimidazole, 2-(2-pyridyl)- | 2-Pyridin-2-yl-1H-benzoimidazole | MCH; Mecholin | 2-(pyridin-2-yl)-1H-1,3-benzodiazole | 2-(pyridin-2-yl)-1H-benzimidazole | AMY32734 | Metaglucina | Acetohydroximic acid | Z50129807 | 2-Chloro-2'-methyl-6-ethyl-N-ethoxyme

Storage

Room temperature

Shipped In

Normal

Overview

Usually used as a chelating fluorescent ligand in the synthesis of cobalt(II) complex,and also also used in the preparation of (H(2)L(1))(2)[Ru(III)Cl(4)(CH(3)CN)(2)](2)[Ru(IV)Cl(4)(CH(3)CN)(2)]·2Cl·6H(2)O complex.

Specifications

Synonyms

Benzimidazole, 2-(2-pyridyl)- | 2-Pyridin-2-yl-1H-benzoimidazole | MCH; Mecholin | 2-(pyridin-2-yl)-1H-1, 3-benzodiazole | 2-(pyridin-2-yl)-1H-benzimidazole | AMY32734 | Metaglucina | Acetohydroximic acid | Z50129807 | 2-Chloro-2'-methyl-6-ethyl-N-ethoxyme

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754577
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754577
• Canonical Smiles: C1=CC=C2C(=C1)NC(=N2)C3=CC=CC=N3
• IUPAC Name: 2-pyridin-2-yl-1H-benzimidazole
• InChIKey: YNFBMDWHEHETJW-UHFFFAOYSA-N
• INCHI: 1S/C12H9N3/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11/h1-8H,(H,14,15)
• Isomeric SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC=CC=N3
• WGK Germany: 3
• PubChem CID: 70821
• Molecular Weight: 195.22
• Reaxy-Rn: 151411

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)

METAP1 Tchem Methionine aminopeptidase 1 (614 Activities)

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METAP2 Tchem Methionine aminopeptidase 2 (1512 Activities)

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MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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HeLa (62764 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

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GMNN Tbio Geminin (128009 Activities)

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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microRNA 21 (64692 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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Associated Targets(non-human)

map Methionine aminopeptidase (444 Activities)

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Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)

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Cyp2b1 Cytochrome P450 2B1 (145 Activities)

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Echinochloa crus-galli (3685 Activities)

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Rodentolepis nana (555 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Bacillus subtilis (32866 Activities)

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Oryza sativa (2923 Activities)

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Entamoeba histolytica (2676 Activities)

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Plasmodium falciparum (966862 Activities)

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Heligmosomoides polygyrus (261 Activities)

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Rattus norvegicus (775804 Activities)

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Botrytis cinerea (4183 Activities)

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Luciferase (58 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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PYK Pyruvate kinase (6726 Activities)

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Chenopodium album (769 Activities)

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Fusarium fujikuroi (210 Activities)

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Pyricularia oryzae (1832 Activities)

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Xanthomonas axonopodis (50 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)

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Cyperus compressus (19 Activities)

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Persicaria hydropiper (38 Activities)

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Pseudoperonospora cubensis (1623 Activities)

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Eleusine indica (140 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Melt Point(°C): 223-227℃
• Molecular Weight: 195.220 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 195.08 Da
• Monoisotopic Mass: 195.08 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 219.000
• 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. Huanyou Su, Hua Lin, Pengfei Li, Bowen Li, Xiaodong Xu, Jiacheng Li, Yuanquan Wu, Jiaqi Hui, Dan Liu.  (2023)  Conversion of Waste Expanded Polystyrene into Blue-Emitting Polymer Film for Light-Emitting Diode Applications.  Polymers,  15  (24): (4693).  [PMID:38139945] [10.3390/polym15244693]

2. Hui-Chao GUAN, Xiao-Tong SONG, Gui-Bao LIU, Shu-Mei YUE.  (2022)  Syntheses, Crystal Structures and DNA-Binding Properties of Zn(II) and Mn(II) Complexes Based on Imidazole Derivatives and Carboxylic Acid.  CHINESE JOURNAL OF STRUCTURAL CHEMISTRY,      [PMID:] [10.14102/j.cnki.0254-5861.2011-3363]