2,2'-Biimidazole - ≥97% , CAS No.492-98-8

CAS: 492-98-8 Cat. No.: B152374 Molecular Weight: 134.14 EC Number: 207-768-8

GRADE & PURITY ≥97%

Synonyms

2,2'-Bi-1H-imidazole | 2,2'bi-1H-imidazole | DTXCID403135 | 2,2'-Biimidazole | B2487 | MLS000028516 | DS-4584 | NSC 522950 | 1H,1'H-[2,2']Biimidazolyl | A871823 | STK792841 | 1'H-2,2'-biimidazole | AZUHIVLOSAPWDM-UHFFFAOYSA-N | HYDROXYAMPHETAMINE [VANDF]

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 2'-Bi-1H-imidazole | 2, 2'bi-1H-imidazole | DTXCID403135 | 2, 2'-Biimidazole | B2487 | MLS000028516 | DS-4584 | NSC 522950 | 1H, 1'H-[2, 2']Biimidazolyl | A871823 | STK792841 | 1'H-2, 2'-biimidazole | AZUHIVLOSAPWDM-UHFFFAOYSA-N | HYDROXYAMPHETAMINE [VANDF]

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488187266
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187266
• Canonical Smiles: C1=CN=C(N1)C2=NC=CN2
• IUPAC Name: 2-(1H-imidazol-2-yl)-1H-imidazole
• InChIKey: AZUHIVLOSAPWDM-UHFFFAOYSA-N
• INCHI: 1S/C6H6N4/c1-2-8-5(7-1)6-9-3-4-10-6/h1-4H,(H,7,8)(H,9,10)
• Isomeric SMILES: C1=CN=C(N1)C2=NC=CN2
• Molecular Weight: 134.14
• Reaxy-Rn: 125968
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125968&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Imidazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 300°C(lit.)
• Molecular Weight: 134.140 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 134.059 Da
• Monoisotopic Mass: 134.059 Da
• Topological Polar Surface Area: 57.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 102.000
• 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. Yifei Ma, Lijie Zhang, Hong Yang, Shanshan Zhu, Jinhua Liu.  (2025)  Imidazole-triggered in situ fluorescence reaction system for quantitatively determination of dopamine from multiple sources.  TALANTA,      [PMID:40157196] [10.1016/j.talanta.2025.127975]