N-benzyl-2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

C24H24N6O2 — CID 43854328

About N-benzyl-2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

N-benzyl-2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 43854328) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-benzyl-2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
• PubChem CID: 43854328
• Molecular Formula: C24H24N6O2
• Molecular Weight: 428.50 g/mol
• Exact Mass: 428.20
• IUPAC Name: N-benzyl-2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
• SMILES: O=C(CC1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)NCc1ccccc1
• InChI: InChI=1S/C24H24N6O2/c31-22(26-16-18-7-2-1-3-8-18)15-21-23(32)29(13-6-12-28-14-11-25-17-28)24-27-19-9-4-5-10-20(19)30(21)24/h1-5,7-11,14,17,21H,6,12-13,15-16H2,(H,26,31)
• InChIKey: ACCLUOCOBSXPAC-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 85.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.50
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

The IUPAC name of N-benzyl-2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (CID 43854328) is N-benzyl-2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

What is the SMILES notation for N-benzyl-2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

The canonical SMILES for N-benzyl-2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is O=C(CC1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)NCc1ccccc1.

What is the InChIKey of N-benzyl-2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

The InChIKey is ACCLUOCOBSXPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c31-22(26-16-18-7-2-1-3-8-18)15-21-23(32)29(13-6-12-28-14-11-25-17-28)24-27-19-9-4-5-10-20(19)30(21)24/h1-5,7-11,14,17,21H,6,12-13,15-16H2,(H,26,31).

What are the key properties of N-benzyl-2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?

N-benzyl-2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 428.50 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 43854328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).