N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

C25H20N6O3 — CID 55581155

About N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 55581155) has the molecular formula C25H20N6O3 and a molecular weight of 452.47 g/mol. Its IUPAC name is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• PubChem CID: 55581155
• Molecular Formula: C25H20N6O3
• Molecular Weight: 452.47 g/mol
• Exact Mass: 452.16
• IUPAC Name: N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• SMILES: O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)Nc1ccc(-n2cnc3ccccc32)nc1
• InChI: InChI=1S/C25H20N6O3/c32-22(14-30-23(33)25(29-24(30)34)12-11-16-5-1-2-6-18(16)25)28-17-9-10-21(26-13-17)31-15-27-19-7-3-4-8-20(19)31/h1-10,13,15H,11-12,14H2,(H,28,32)(H,29,34)
• InChIKey: ABSWBOJVYGZMQT-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 109.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.47
LogP ≤ 5	2.75
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-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 55581155) is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

What is the SMILES notation for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The canonical SMILES for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)Nc1ccc(-n2cnc3ccccc32)nc1.

What is the InChIKey of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The InChIKey is ABSWBOJVYGZMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O3/c32-22(14-30-23(33)25(29-24(30)34)12-11-16-5-1-2-6-18(16)25)28-17-9-10-21(26-13-17)31-15-27-19-7-3-4-8-20(19)31/h1-10,13,15H,11-12,14H2,(H,28,32)(H,29,34).

What are the key properties of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 452.47 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 55581155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).