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

C22H21N5O4 — CID 49169528

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 49169528) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• PubChem CID: 49169528
• Molecular Formula: C22H21N5O4
• Molecular Weight: 419.44 g/mol
• Exact Mass: 419.16
• IUPAC Name: N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• SMILES: Cn1c(=O)n(C)c2cc(NC(=O)CN3C(=O)NC4(CCc5ccccc54)C3=O)ccc21
• InChI: InChI=1S/C22H21N5O4/c1-25-16-8-7-14(11-17(16)26(2)21(25)31)23-18(28)12-27-19(29)22(24-20(27)30)10-9-13-5-3-4-6-15(13)22/h3-8,11H,9-10,12H2,1-2H3,(H,23,28)(H,24,30)
• InChIKey: AWECSOSDLTYSGQ-UHFFFAOYSA-N
• XLogP: 1.21
• TPSA: 105.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.44
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 49169528) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

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

The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is Cn1c(=O)n(C)c2cc(NC(=O)CN3C(=O)NC4(CCc5ccccc54)C3=O)ccc21.

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

The InChIKey is AWECSOSDLTYSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-25-16-8-7-14(11-17(16)26(2)21(25)31)23-18(28)12-27-19(29)22(24-20(27)30)10-9-13-5-3-4-6-15(13)22/h3-8,11H,9-10,12H2,1-2H3,(H,23,28)(H,24,30).

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 419.44 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 49169528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).