Albendazole

C₁₂H₁₅N₃O₂S — CID 2082

About Albendazole

Albendazole (PubChem CID 2082) has the molecular formula C₁₂H₁₅N₃O₂S and a molecular weight of 265.34 g/mol. Its IUPAC name is methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

• Compound Name: Albendazole
• PubChem CID: 2082
• Molecular Formula: C₁₂H₁₅N₃O₂S
• Molecular Weight: 265.34 g/mol
• Exact Mass: 265.09
• IUPAC Name: methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate
• SMILES: CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1
• InChI: InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
• InChIKey: HXHWSAZORRCQMX-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 67.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.34
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Albendazole?

The IUPAC name of Albendazole (CID 2082) is methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate.

What is the SMILES notation for Albendazole?

The canonical SMILES for Albendazole is CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1.

What is the InChIKey of Albendazole?

The InChIKey is HXHWSAZORRCQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16).

What are the key properties of Albendazole?

Albendazole has a molecular weight of 265.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Albendazole is sourced from PubChem (CID 2082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2082 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 103 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.