1-Methylbenzimidazole - ≥99% , CAS No.1632-83-3

CAS: 1632-83-3 Cat. No.: M110306 Molecular Weight: 132.16 EC Number: 605-321-5

GRADE & PURITY ≥99%

Synonyms

(2-iodo-5-nitrophenyl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone | Acetamide, N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl)- | F10497 | M2173 | 1-methyl-1H-benzo[d]imidazole | 1H-Benzimid

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

1-Methylbenzimidazole is a heterocyclic building block. Effect of the interaction between 1-methylbenzimidazole (MBI) with Li+ and TiO2 on the performance of dye-sensitized solar cells has been investigated.

Specifications

Synonyms

(2-iodo-5-nitrophenyl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone | Acetamide, N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-2, 3-dihydro-1, 3-dioxo-1H-isoindol-4-yl)- | F10497 | M2173 | 1-methyl-1H-benzo[d]imidazole | 1H-Benzimid

Specifications & Purity

≥99%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CN1C=NC2=CC=CC=C21
• IUPAC Name: 1-methylbenzimidazole
• InChIKey: FGYADSCZTQOAFK-UHFFFAOYSA-N
• INCHI: 1S/C8H8N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2-6H,1H3
• Isomeric SMILES: CN1C=NC2=CC=CC=C21
• WGK Germany: 3
• Molecular Weight: 132.16
• Reaxy-Rn: 114691
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114691&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: N-substituted imidazoles Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Benzenoid - N-substituted imidazole - 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)

HCT-116 (91556 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in methanol.
• Sensitivity: Heat and air sensitive
• Boil Point(°C): 154 °C
• Melt Point(°C): 59-62°C
• Molecular Weight: 132.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 132.069 Da
• Monoisotopic Mass: 132.069 Da
• Topological Polar Surface Area: 17.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 124.000
• 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. Hongying Tang, David Aili, Kang Geng, Jian Gao, Qingfeng Li, Nanwen Li.  (2021)  On the stability of imidazolium and benzimidazolium salts in phosphoric acid based fuel cell electrolytes.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2021.230642]

2. Shenghua Du, Mengting Zhang, Pei Chen, Jiazhen Dang, Aiai Gao, Weisong Du, Xinbing Chen, Zhongwei An.  (2020)  Improved mesomorphic behaviour and large birefringence of fluorinated liquid crystals containing ethynyl and 1-methyl-1H-benzimidazole moieties.  LIQUID CRYSTALS,      [PMID:] [10.1080/02678292.2019.1710781]

3. Xiaocheng Lin, Xuhao Liang, Simon D. Poynton, John R. Varcoe, Ai Lien Ong, Jin Ran, Yan Li, Qiuhua Li, Tongwen Xu.  (2013)  Novel alkaline anion exchange membranes containing pendant benzimidazolium groups for alkaline fuel cells.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2013.04.059]

4. Yao-Yao Wang, Yu-Qing Wang, Li-Xia Bao, Chunfeng Wang, Zhaoyang Wang, Hongjie Zhu, Hui-Juan Wang.  (2024)  In situ prepared ionic liquids containing moisture-resistant bismuth-based perovskite crystals enhance the photocatalytic water purification and H2 production of MOF.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.130998]

5. Yao-Yao Wang, Yu-Qing Wang, Chunfeng Wang, Yuqiao Chai, Xiaoxue Liu, Zhaoyang Wang, Hongjie Zhu, Hui-Juan Wang, Dong Wang.  (2025)  In situ preparation of imidazolyl ionic liquid molecular cation moisture-resistant A3Bi2I9 perovskite crystals for efficient photocatalytic water purification and hydrogen production.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2025.117218]