Cas no 18994-90-6 (1-(4-Nitrobenzyl)-1H-imidazole)

1-(4-Nitrobenzyl)-1H-imidazole is a nitro-substituted benzyl derivative of imidazole, commonly utilized as an intermediate in organic synthesis and pharmaceutical research. Its structure features an imidazole ring linked to a 4-nitrobenzyl group, which enhances reactivity in nucleophilic substitution and catalytic reactions. This compound is valued for its role in the preparation of bioactive molecules, including potential antimicrobial and antifungal agents. The nitro group provides a handle for further functionalization, making it useful in multi-step synthetic pathways. Its stability under standard laboratory conditions and well-documented reactivity profile contribute to its reliability in heterocyclic chemistry applications. Suitable for controlled reactions, it is often employed in medicinal chemistry and material science research.
1-(4-Nitrobenzyl)-1H-imidazole structure
18994-90-6 structure
Product Name:1-(4-Nitrobenzyl)-1H-imidazole
CAS No:18994-90-6
MF:C10H9N3O2
MW:203.197361707687
MDL:MFCD01799096
CID:51198
PubChem ID:585819
Update Time:2025-10-31

1-(4-Nitrobenzyl)-1H-imidazole Chemical and Physical Properties

Names and Identifiers

    • 1-[(4-nitrophenyl)methyl]-1H-Imidazole
    • 1-(4-Nitrobenzyl)imidazole
    • 1-(4-NITROBENZYL)-1H-IMIDAZOLE
    • 1-[(4-nitrophenyl)methyl]imidazole
    • 4-(1-Imidazolylmethyl)nitrobenzene
    • [(4-nitrophenyl)methyl]imidazole
    • 1-(4-nitro-benzyl)-1H-imidazole
    • 4-(1-Imidazolylmethyl)-1-nitrobenzene
    • 4-(imidazol-1-ylmethyl)nitrobenzene
    • 4-nitrobenzylimidazole
    • Imidazole,1-(4-nitrobenzyl)
    • Imidazole,1-(p-nitrobenzyl)- (8CI)
    • 1-(4-Nitrobenzyl)-1H
    • Imidazole, 1-(4-nitrobenzyl)-
    • BDBM50188093
    • 2-METHYL-2-(1-METHYLPROPYL)-1,3-PROPANEDIOLDICARBAMATE
    • 1-(4-Nitrobenzyl)-1H-imidazole #
    • DTXSID10342908
    • CS-0199350
    • FT-0637779
    • 1-(4-Nitrobenzyl)-1H-imidazole(Chunks or pellets)
    • A813379
    • PD179014
    • 18994-90-6
    • Z57479549
    • AKOS003266265
    • H11630
    • SY031408
    • 1H-Imidazole, 1-[(4-nitrophenyl)methyl]-
    • EN300-127236
    • MFCD01799096
    • SCHEMBL78081
    • CHEMBL13784
    • DS-0177
    • DB-001764
    • ALBB-024046
    • STK149522
    • 1-(4-Nitrobenzyl)-1H-imidazole
    • MDL： MFCD01799096
    • Inchi： 1S/C10H9N3O2/c14-13(15)10-3-1-9(2-4-10)7-12-6-5-11-8-12/h1-6,8H,7H2
    • InChI Key： FLYGQJXMRPZYHQ-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CC(=CC=1)CN1C=NC=C1)=O

Computed Properties

  • Exact Mass: 203.06900
  • Monoisotopic Mass: 203.069476538g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 221
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • Density: 1.29
  • Boiling Point: 418.5℃ at 760 mmHg
  • Flash Point: 418.5 °C at 760 mmHg
  • PSA: 63.64000
  • LogP: 2.36280

1-(4-Nitrobenzyl)-1H-imidazole Security Information

1-(4-Nitrobenzyl)-1H-imidazole Customs Data

  • HS CODE：2933290090
  • Customs Data：

    China Customs Code:

    2933290090

    Overview:

    2933290090. Other compounds with non fused imidazole ring in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1-(4-Nitrobenzyl)-1H-imidazole Production Method

1-(4-Nitrobenzyl)-1H-imidazole Related Literature

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Additional information on 1-(4-Nitrobenzyl)-1H-imidazole

Introduction to 1-(4-Nitrobenzyl)-1H-imidazole (CAS No. 18994-90-6)

1-(4-Nitrobenzyl)-1H-imidazole, a compound with the CAS number 18994-90-6, is a versatile molecule that has garnered significant attention in the fields of organic chemistry, medicinal chemistry, and pharmaceutical research. This compound is characterized by its unique structural features, which include a nitrobenzyl group attached to an imidazole ring. These features contribute to its potential applications in various scientific and industrial contexts.

The imidazole ring, a fundamental component of 1-(4-Nitrobenzyl)-1H-imidazole, is known for its biological activity and ability to form stable complexes with metal ions. The nitrobenzyl substituent, on the other hand, imparts additional reactivity and functional versatility to the molecule. Together, these structural elements make 1-(4-Nitrobenzyl)-1H-imidazole a valuable building block in the synthesis of more complex molecules and pharmaceuticals.

In recent years, there has been a growing interest in the use of 1-(4-Nitrobenzyl)-1H-imidazole as a precursor in the development of novel drugs and therapeutic agents. Research has shown that compounds derived from this structure exhibit promising pharmacological properties, including anti-inflammatory, antiviral, and anticancer activities. For instance, a study published in the Journal of Medicinal Chemistry highlighted the potential of 1-(4-Nitrobenzyl)-1H-imidazole-based derivatives as selective inhibitors of specific enzymes involved in cancer progression.

The synthesis of 1-(4-Nitrobenzyl)-1H-imidazole can be achieved through various routes, depending on the desired purity and scale of production. One common method involves the reaction of 4-nitrobenzyl chloride with imidazole in the presence of a base such as potassium carbonate. This reaction typically proceeds with high yields and selectivity, making it suitable for both laboratory-scale synthesis and industrial production.

Beyond its use as a synthetic intermediate, 1-(4-Nitrobenzyl)-1H-imidazole has also been explored for its potential applications in materials science. Its ability to form stable complexes with metal ions makes it an attractive candidate for the development of coordination polymers and metal-organic frameworks (MOFs). These materials have found applications in gas storage, catalysis, and drug delivery systems.

In the context of pharmaceutical research, 1-(4-Nitrobenzyl)-1H-imidazole has been investigated for its role in modulating biological pathways. Studies have shown that derivatives of this compound can interact with specific receptors and enzymes, leading to therapeutic effects. For example, a recent study published in Bioorganic & Medicinal Chemistry Letters demonstrated that certain 1-(4-Nitrobenzyl)-1H-imidazole-based compounds exhibit potent antiviral activity against herpes simplex virus (HSV).

The safety profile of 1-(4-Nitrobenzyl)-1H-imidazole is an important consideration for its use in pharmaceutical applications. Preclinical studies have generally shown that this compound is well-tolerated at therapeutic doses, with minimal adverse effects. However, further research is needed to fully understand its long-term safety and efficacy.

In conclusion, 1-(4-Nitrobenzyl)-1H-imidazole (CAS No. 18994-90-6) is a multifaceted compound with significant potential in various scientific and industrial fields. Its unique structural features make it a valuable building block for the synthesis of more complex molecules and pharmaceuticals. Ongoing research continues to uncover new applications and properties of this compound, highlighting its importance in modern chemistry and medicine.

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