2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide

C25H22N4O2 — CID 31056559

About 2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide

2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 31056559) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
• PubChem CID: 31056559
• Molecular Formula: C25H22N4O2
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.17
• IUPAC Name: 2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
• SMILES: Cc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)c3nc4ccccc4n32)cc1
• InChI: InChI=1S/C25H22N4O2/c1-17-11-13-19(14-12-17)26-23(30)15-22-24(31)28(16-18-7-3-2-4-8-18)25-27-20-9-5-6-10-21(20)29(22)25/h2-14,22H,15-16H2,1H3,(H,26,30)/t22-/m0/s1
• InChIKey: BTSDVNFLTMPHOG-QFIPXVFZSA-N
• XLogP: 4.46
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide?

The IUPAC name of 2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide (CID 31056559) is 2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide.

What is the SMILES notation for 2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide?

The canonical SMILES for 2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)c3nc4ccccc4n32)cc1.

What is the InChIKey of 2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide?

The InChIKey is BTSDVNFLTMPHOG-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-17-11-13-19(14-12-17)26-23(30)15-22-24(31)28(16-18-7-3-2-4-8-18)25-27-20-9-5-6-10-21(20)29(22)25/h2-14,22H,15-16H2,1H3,(H,26,30)/t22-/m0/s1.

What are the key properties of 2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide?

2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 410.48 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 31056559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).