3'-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C20H15BrN4O3 — CID 46606195

About 3'-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

3'-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 46606195) has the molecular formula C20H15BrN4O3 and a molecular weight of 439.27 g/mol. Its IUPAC name is 3'-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: 3'-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
• PubChem CID: 46606195
• Molecular Formula: C20H15BrN4O3
• Molecular Weight: 439.27 g/mol
• Exact Mass: 438.03
• IUPAC Name: 3'-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
• SMILES: O=C1NC2(CCc3ccccc32)C(=O)N1Cc1nc(-c2cccc(Br)c2)no1
• InChI: InChI=1S/C20H15BrN4O3/c21-14-6-3-5-13(10-14)17-22-16(28-24-17)11-25-18(26)20(23-19(25)27)9-8-12-4-1-2-7-15(12)20/h1-7,10H,8-9,11H2,(H,23,27)
• InChIKey: UJNQDBAKXAMPNO-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.27
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3'-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?

The IUPAC name of 3'-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 46606195) is 3'-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

What is the SMILES notation for 3'-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?

The canonical SMILES for 3'-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCc3ccccc32)C(=O)N1Cc1nc(-c2cccc(Br)c2)no1.

What is the InChIKey of 3'-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?

The InChIKey is UJNQDBAKXAMPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O3/c21-14-6-3-5-13(10-14)17-22-16(28-24-17)11-25-18(26)20(23-19(25)27)9-8-12-4-1-2-7-15(12)20/h1-7,10H,8-9,11H2,(H,23,27).

What are the key properties of 3'-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?

3'-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 439.27 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 46606195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).