4,5-Dibromo-2-methylimidazole

• CAS: 4002-81-7
• Catalog Number: ACM4002817
• Category: Bromine Series
• Molecular Weight: 239.90
• Molecular Formula: C₄H₄N₂Br₂

Custom Q&A

What is the molecular formula of 4,5-Dibromo-2-methylimidazole?

The molecular formula is C4H4Br2N2.

When was 4,5-Dibromo-2-methylimidazole created in PubChem?

It was created on July 19, 2005.

What is the molecular weight of 4,5-Dibromo-2-methylimidazole?

The molecular weight is 239.90 g/mol.

What is the IUPAC name of 4,5-Dibromo-2-methylimidazole?

The IUPAC name is 4,5-dibromo-2-methyl-1H-imidazole.

What is the Canonical SMILES of 4,5-Dibromo-2-methylimidazole?

The Canonical SMILES is CC1=NC(=C(N1)Br)Br.

What is the InChIKey of 4,5-Dibromo-2-methylimidazole?

The InChIKey is DBFMQNPRKMLHLK-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 4,5-Dibromo-2-methylimidazole have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of 4,5-Dibromo-2-methylimidazole?

The topological polar surface area is 28.7Ų.

How many heavy atoms does 4,5-Dibromo-2-methylimidazole contain?

It contains 8 heavy atoms.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 693-98-1

• 4002-81-7
• 16265-11-5

Reference: [1]Das, Nandita; Chowdhury, Shubhamoy; Purkayastha, Ranendra N. Dutta
[Monatshefte fur Chemie, 2019, vol. 150, # 7, p. 1255 - 1266]
[2]Bhattacharjee, M.; Boruah, S. R.; Chowdhury, S.; Das, N.; Dutta Purkayastha, R. N.
[Journal of the Indian Chemical Society, 2022, vol. 99, # 2]

Downstream Synthesis Route 1

• 4002-81-7
• 77-78-1

• 16954-05-5

Reference: [1]Bahnous, Mebarek; Bouraiou, Abdelmalek; Chelghoum, Meryem; Bouacida, Sofiane; Roisnel, Thierry; Smati, Farida; Bentchouala, Chafia; Gros, Philippe C.; Belfaitah, Ali
[Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 5, p. 1274 - 1278]
[2]Bahnous, Mebarek; Mouats, Chabane; Fort, Yves; Gros, Philippe C.
[Tetrahedron Letters, 2006, vol. 47, # 12, p. 1949 - 1951]

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