2-[3-(1,1-dioxothiolan-3-yl)-2-oxobenzimidazol-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide

C25H25N5O6S — CID 10006995

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

2-[3-(1,1-dioxothiolan-3-yl)-2-oxobenzimidazol-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide (PubChem CID 10006995) has the molecular formula C25H25N5O6S and a molecular weight of 523.57 g/mol. Its IUPAC name is 2-[3-(1,1-dioxothiolan-3-yl)-2-oxobenzimidazol-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(1,1-dioxothiolan-3-yl)-2-oxobenzimidazol-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
• PubChem CID: 10006995
• Molecular Formula: C25H25N5O6S
• Molecular Weight: 523.57 g/mol
• Exact Mass: 523.15
• IUPAC Name: 2-[3-(1,1-dioxothiolan-3-yl)-2-oxobenzimidazol-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
• SMILES: CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)Cn3c(=O)n(C4CCS(=O)(=O)C4)c4ccccc43)cc1C2
• InChI: InChI=1S/C25H25N5O6S/c1-28-23(33)27-22(32)25(28)11-15-6-7-17(10-16(15)12-25)26-21(31)13-29-19-4-2-3-5-20(19)30(24(29)34)18-8-9-37(35,36)14-18/h2-7,10,18H,8-9,11-14H2,1H3,(H,26,31)(H,27,32,33)
• InChIKey: MUJODSURWGPHBP-UHFFFAOYSA-N
• XLogP: 0.82
• TPSA: 139.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.57
LogP ≤ 5	0.82
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 2-[3-(1,1-dioxothiolan-3-yl)-2-oxobenzimidazol-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?

The IUPAC name of 2-[3-(1,1-dioxothiolan-3-yl)-2-oxobenzimidazol-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide (CID 10006995) is 2-[3-(1,1-dioxothiolan-3-yl)-2-oxobenzimidazol-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide.

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

The canonical SMILES for 2-[3-(1,1-dioxothiolan-3-yl)-2-oxobenzimidazol-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide is CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)Cn3c(=O)n(C4CCS(=O)(=O)C4)c4ccccc43)cc1C2.

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

The InChIKey is MUJODSURWGPHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O6S/c1-28-23(33)27-22(32)25(28)11-15-6-7-17(10-16(15)12-25)26-21(31)13-29-19-4-2-3-5-20(19)30(24(29)34)18-8-9-37(35,36)14-18/h2-7,10,18H,8-9,11-14H2,1H3,(H,26,31)(H,27,32,33).

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

2-[3-(1,1-dioxothiolan-3-yl)-2-oxobenzimidazol-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide has a molecular weight of 523.57 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1,1-dioxothiolan-3-yl)-2-oxobenzimidazol-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide is sourced from PubChem (CID 10006995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).