N-(1-ethylbenzimidazol-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide

C19H17N7OS — CID 2773086

About N-(1-ethylbenzimidazol-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide

N-(1-ethylbenzimidazol-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide (PubChem CID 2773086) has the molecular formula C19H17N7OS and a molecular weight of 391.46 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide.

Molecular Properties

• Compound Name: N-(1-ethylbenzimidazol-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide
• PubChem CID: 2773086
• Molecular Formula: C19H17N7OS
• Molecular Weight: 391.46 g/mol
• Exact Mass: 391.12
• IUPAC Name: N-(1-ethylbenzimidazol-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide
• SMILES: CCn1c(NC(=O)CSc2n[nH]c3nc4ccccc4n23)nc2ccccc21
• InChI: InChI=1S/C19H17N7OS/c1-2-25-14-9-5-3-7-12(14)20-17(25)22-16(27)11-28-19-24-23-18-21-13-8-4-6-10-15(13)26(18)19/h3-10H,2,11H2,1H3,(H,21,23)(H,20,22,27)
• InChIKey: QBPSOBVOYNZPEP-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 92.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.46
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide?

The IUPAC name of N-(1-ethylbenzimidazol-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide (CID 2773086) is N-(1-ethylbenzimidazol-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide.

What is the SMILES notation for N-(1-ethylbenzimidazol-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide?

The canonical SMILES for N-(1-ethylbenzimidazol-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide is CCn1c(NC(=O)CSc2n[nH]c3nc4ccccc4n23)nc2ccccc21.

What is the InChIKey of N-(1-ethylbenzimidazol-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide?

The InChIKey is QBPSOBVOYNZPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7OS/c1-2-25-14-9-5-3-7-12(14)20-17(25)22-16(27)11-28-19-24-23-18-21-13-8-4-6-10-15(13)26(18)19/h3-10H,2,11H2,1H3,(H,21,23)(H,20,22,27).

What are the key properties of N-(1-ethylbenzimidazol-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide?

N-(1-ethylbenzimidazol-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide has a molecular weight of 391.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-ethylbenzimidazol-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide is sourced from PubChem (CID 2773086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).