2-(Chloromethyl)-1-methyl-1H-benzimidazole

• CAS: 4760-35-4
• Catalog Number: ACM4760354
• Category: Other Products
• Molecular Weight: 180.63
• Molecular Formula: C₉H₉ClN₂
• Synonyms: 2-(chloromethyl)-1-methyl-benzoimidazole;1H-Benzimidazole,2-(chloromethyl)-1-methyl-(9CI);2-(Chloromethyl)-1-methyl-1H-benzimidazole;2-(chloromethyl)-1-methylbenzimidazole;2-(chloromethyl)-1-methyl-benzimidazole;2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole;1H-BenziMidazole, 2-(chloroMethyl)-1-Methyl-;2-(chloromethyl)-1-methyl-1H-benzimidazole hydrochloride

Custom Q&A

What is the molecular formula of 2-(Chloromethyl)-1-methyl-1H-benzimidazole?

The molecular formula is C9H9ClN2.

What is the molecular weight of the compound?

The molecular weight is 180.63 g/mol.

When was the compound created and last modified?

The compound was created on 2005-03-26 and last modified on 2023-12-30.

What is the IUPAC name of the compound?

The IUPAC name is 2-(chloromethyl)-1-methylbenzimidazole.

What is the InChI code for the compound?

The InChI code is 1S/C9H9ClN2/c1-12-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6H2,1H3.

What is the InChIKey for the compound?

The InChIKey is WRGVPFAJPMIYOX-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in the compound?

There are 0 hydrogen bond donor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 17.8 Ų.

Does the compound have any defined atom stereocenter count?

No, the compound does not have any defined atom stereocenter count.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 7467-35-8

• 4760-35-4

Reference: [1]Current Patent Assignee: ASTRAZENECA PLC - US2009/192169, 2009, A1
Location in patent: Page/Page column 60

Upstream Synthesis Route 2

• 79-11-8
• 4760-34-3

• 4760-35-4

Reference: [1]Zhang; Xu; Wang; Kang
[Russian Journal of General Chemistry, 2017, vol. 87, # 12, p. 3006 - 3016]

Downstream Synthesis Route 1

• 4760-35-4

• 20028-40-4

Reference: [1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1993, vol. 29, # 5, p. 567 - 574[2] Khimiya Geterotsiklicheskikh Soedinenii, 1993, # 5, p. 664 - 672
[3] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1989, vol. 25, # 10, p. 1192[4] Khimiya Geterotsiklicheskikh Soedinenii, 1989, vol. 25, # 10, p. 1422
[5] Chemistry - A European Journal, 2013, vol. 19, # 19, p. 6067 - 6079

Downstream Synthesis Route 2

• 4760-35-4
• 39987-25-2

• 89218-98-4

Reference: [1]Australian Journal of Chemistry,1983,vol. 36,p. 2317 - 2325

* For details of the synthesis route, please refer to the original source to ensure accuracy.