N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide

C₁₁H₁₃N₃OS — CID 121222107

About N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide

N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide (PubChem CID 121222107) has the molecular formula C₁₁H₁₃N₃OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide
• PubChem CID: 121222107
• Molecular Formula: C₁₁H₁₃N₃OS
• Molecular Weight: 235.31 g/mol
• Exact Mass: 235.08
• IUPAC Name: N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide
• SMILES: CC(=O)NCCSn1cnc2ccccc21
• InChI: InChI=1S/C11H13N3OS/c1-9(15)12-6-7-16-14-8-13-10-4-2-3-5-11(10)14/h2-5,8H,6-7H2,1H3,(H,12,15)
• InChIKey: QDGSBJXGLDXNIG-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	235.31
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide?

The IUPAC name of N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide (CID 121222107) is N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide.

What is the SMILES notation for N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide?

The canonical SMILES for N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide is CC(=O)NCCSn1cnc2ccccc21.

What is the InChIKey of N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide?

The InChIKey is QDGSBJXGLDXNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-9(15)12-6-7-16-14-8-13-10-4-2-3-5-11(10)14/h2-5,8H,6-7H2,1H3,(H,12,15).

What are the key properties of N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide?

N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide has a molecular weight of 235.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 121222107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121222107 — identifiers, structure, computed properties (public domain)

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