N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)acetamide

C25H21N7O4 — CID 10413017

About N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)acetamide

N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)acetamide (PubChem CID 10413017) has the molecular formula C25H21N7O4 and a molecular weight of 483.49 g/mol. Its IUPAC name is N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)acetamide.

Molecular Properties

• Compound Name: N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)acetamide
• PubChem CID: 10413017
• Molecular Formula: C25H21N7O4
• Molecular Weight: 483.49 g/mol
• Exact Mass: 483.17
• IUPAC Name: N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)acetamide
• SMILES: CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)Cn3c(=O)n(-c4cncnc4)c4ccccc43)cc1C2
• InChI: InChI=1S/C25H21N7O4/c1-30-23(35)29-22(34)25(30)9-15-6-7-17(8-16(15)10-25)28-21(33)13-31-19-4-2-3-5-20(19)32(24(31)36)18-11-26-14-27-12-18/h2-8,11-12,14H,9-10,13H2,1H3,(H,28,33)(H,29,34,35)
• InChIKey: NRFBJAZUUUIQSC-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 131.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.49
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)acetamide?

The IUPAC name of N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)acetamide (CID 10413017) is N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)acetamide.

What is the SMILES notation for N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)acetamide?

The canonical SMILES for N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)acetamide is CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)Cn3c(=O)n(-c4cncnc4)c4ccccc43)cc1C2.

What is the InChIKey of N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)acetamide?

The InChIKey is NRFBJAZUUUIQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O4/c1-30-23(35)29-22(34)25(30)9-15-6-7-17(8-16(15)10-25)28-21(33)13-31-19-4-2-3-5-20(19)32(24(31)36)18-11-26-14-27-12-18/h2-8,11-12,14H,9-10,13H2,1H3,(H,28,33)(H,29,34,35).

What are the key properties of N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)acetamide?

N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)acetamide has a molecular weight of 483.49 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 10413017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).