2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide

C25H22N4O2 — CID 29264618

About 2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide

2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide (PubChem CID 29264618) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide
• PubChem CID: 29264618
• Molecular Formula: C25H22N4O2
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.17
• IUPAC Name: 2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide
• SMILES: Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)n3c2nc2ccccc23)c1
• InChI: InChI=1S/C25H22N4O2/c1-17-8-7-9-18(14-17)16-28-24(31)22(15-23(30)26-19-10-3-2-4-11-19)29-21-13-6-5-12-20(21)27-25(28)29/h2-14,22H,15-16H2,1H3,(H,26,30)/t22-/m1/s1
• InChIKey: XTVCGPUTXPHIMS-JOCHJYFZSA-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-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide?

The IUPAC name of 2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide (CID 29264618) is 2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide.

What is the SMILES notation for 2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide?

The canonical SMILES for 2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide is Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)n3c2nc2ccccc23)c1.

What is the InChIKey of 2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide?

The InChIKey is XTVCGPUTXPHIMS-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-17-8-7-9-18(14-17)16-28-24(31)22(15-23(30)26-19-10-3-2-4-11-19)29-21-13-6-5-12-20(21)27-25(28)29/h2-14,22H,15-16H2,1H3,(H,26,30)/t22-/m1/s1.

What are the key properties of 2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide?

2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide 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-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 29264618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).