2-Phenylimidazole - ≥98% , CAS No.670-96-2

CAS: 670-96-2 Cat. No.: P124054 Molecular Weight: 144.18 Beilstein Registry Number: 114011 EC Number: 211-581-7

GRADE & PURITY ≥98%

Synonyms

MFCD00005186 | PIY | PhI, 2-Phenyl-1H-imidazole | SB12467 | AI3-50034 | 2-Phenylimidazole | 2-phenyl-imidazole | BBL012170 | STK949036 | 2-Phenyl-1H-imidazole | CUREZOL 2PZ | EINECS 211-581-7 | A929223 | FT-0613337 | NSC 255226 | W-104731 | InChI=1/C9H8N2

Storage

Room temperature

Shipped In

Normal

Overview

2-Phenylimidazole was used to prepare complex compounds with ruthenium(III).

Specifications

Synonyms

MFCD00005186 | PIY | PhI, 2-Phenyl-1H-imidazole | SB12467 | AI3-50034 | 2-Phenylimidazole | 2-phenyl-imidazole | BBL012170 | STK949036 | 2-Phenyl-1H-imidazole | CUREZOL 2PZ | EINECS 211-581-7 | A929223 | FT-0613337 | NSC 255226 | W-104731 | InChI=1/C9H8N2

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184365
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184365
• Canonical Smiles: C1=CC=C(C=C1)C2=NC=CN2
• IUPAC Name: 2-phenyl-1H-imidazole
• InChIKey: ZCUJYXPAKHMBAZ-UHFFFAOYSA-N
• INCHI: 1S/C9H8N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H,(H,10,11)
• Isomeric SMILES: C1=CC=C(C=C1)C2=NC=CN2
• WGK Germany: 3
• Molecular Weight: 144.18
• Beilstein: 114011
• Reaxy-Rn: 114011
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114011&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylimidazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - 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 phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• 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)

ADK Tchem Adenosine kinase (1481 Activities)

Discover Target: ADK

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

Discover Target: MTOR

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NISCH Tclin Nischarin (304 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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Associated Targets(non-human)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Aspergillus niger (16508 Activities)

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Bacillus subtilis (32866 Activities)

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Plasmodium falciparum (966862 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in methanol (almost transparency)
• Flash Point(°F): 200℃(392°F)
• Flash Point(°C): 200℃(392°F)
• Boil Point(°C): 340°C
• Melt Point(°C): 146-150°C
• Molecular Weight: 144.170 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 144.069 Da
• Monoisotopic Mass: 144.069 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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. Chaohua Song, Longfei Peng, Yinhui Li, Yawei Du, Zan Chen, Weixin Li, Cuijia Duan, Biao Yuan, Shuo Yan, Sibudjing Kawi.  (2023)  Fabrication, Facilitating Gas Permeability, and Molecular Simulations of Porous Hypercrosslinked Polymers Embedding 6FDA-Based Polyimide Mixed-Matrix Membranes.  MOLECULES,  28  (5): (2028).  [PMID:36903274] [10.3390/molecules28052028]

2. Zhen Li, Yirong Wang, Ce Xu, Xianghong Li, Bingguang Zhang.  (2023)  A cycloruthenated 2-phenylimidazole: chromogenic sensor for nitrite in acidic buffer and fluoride in CH3CN.  NEW JOURNAL OF CHEMISTRY,  47  (10): (4911-4919).  [PMID:] [10.1039/D2NJ05227J]

3. Mingming Xu, Zhijun Zhou, Lin Hao, Zhi Li, Jie Li, Qianqian Wang, Weihua Liu, Chun Wang, Zhi Wang, Qiuhua Wu.  (2022)  Phenyl-imidazole based and nitrogen rich hyper-crosslinked polymer for sensitive determination of aflatoxins.  FOOD CHEMISTRY,      [PMID:] [10.1016/j.foodchem.2022.134847]

4. Haolan Gou, Yingying Zhao, Yanglong Zhou, Wei Wei, Xiaoma Fei, Xiaojie Li, Xiaoya Liu.  (2021)  Effects of different imidazole accelerators on curing behavior and cross-linked network of epoxy resin/phenolic resin/benzoxazine ternary system.  POLYMERS FOR ADVANCED TECHNOLOGIES,  33  (2): (610-626).  [PMID:] [10.1002/pat.5543]

5. Guannan Yang, Guangdong Xu, Quanzhen Li, Yujie Zeng, Yu Zhang, Mingming Hao, Chengqiang Cui.  (2021)  Understanding the sintering and heat dissipation behaviours of Cu nanoparticles during low-temperature selective laser sintering process on flexible substrates.  JOURNAL OF PHYSICS D-APPLIED PHYSICS,  54  (37): (375304).  [PMID:] [10.1088/1361-6463/ac0d73]

6. Kunxiang Shi, Yucai Shen, Yunxu Yang, Tingwei Wang.  (2020)  Novel imidazole derivatives with recoverable activity as latent curing agents for epoxy.  JOURNAL OF APPLIED POLYMER SCIENCE,  138  (4): (49730).  [PMID:] [10.1002/app.49730]

7. Xiao-Yan Luo, Xiao-Yan Chen, Rong-Xing Qiu, Bao-You Pei, Yi Wei, Min Hu, Jin-Qing Lin, Jing-Yang Zhang, Geng-Geng Luo.  (2019)  Enhanced CO2 capture by reducing cation–anion interactions in hydroxyl-pyridine anion-based ionic liquids.  DALTON TRANSACTIONS,  48  (7): (2300-2307).  [PMID:30648718] [10.1039/C8DT04680H]

8. Ming Jiang, Xintong Zhang, Mi Feng, Shijie Wang, Zhencai Zhang, Xiangping Zhang, Xingmei Lu, Fei Xu.  (2024)  Tunable protic ionic liquid catalysts for the efficient one-step synthesis of isosorbide-based polycarbonates.  Carbon Capture Science & Technology,      [PMID:] [10.1016/j.ccst.2024.100281]

9. Yu Zhang, Xianchong Yu, Ziyuan Chen, Song Wu, Haiqi Lai, Shiwo Ta, Tingyu Lin, Guannan Yang, Chengqiang Cui.  (2023)  Synthesis of Imidazole-Compound-Coated Copper Nanoparticles with Promising Antioxidant and Sintering Properties.  Micromachines,  14  (11): (2079).  [PMID:38004936] [10.3390/mi14112079]