3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C22H18N2O5 — CID 17473546

About 3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 17473546) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: 3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
• PubChem CID: 17473546
• Molecular Formula: C22H18N2O5
• Molecular Weight: 390.40 g/mol
• Exact Mass: 390.12
• IUPAC Name: 3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
• SMILES: Cc1c(C(=O)CN2C(=O)NC3(CCOc4ccccc43)C2=O)oc2ccccc12
• InChI: InChI=1S/C22H18N2O5/c1-13-14-6-2-4-8-17(14)29-19(13)16(25)12-24-20(26)22(23-21(24)27)10-11-28-18-9-5-3-7-15(18)22/h2-9H,10-12H2,1H3,(H,23,27)
• InChIKey: NCGQUCALPOYLKW-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 88.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.40
LogP ≤ 5	3.15
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'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?

The IUPAC name of 3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 17473546) is 3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

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

The canonical SMILES for 3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is Cc1c(C(=O)CN2C(=O)NC3(CCOc4ccccc43)C2=O)oc2ccccc12.

What is the InChIKey of 3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?

The InChIKey is NCGQUCALPOYLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-13-14-6-2-4-8-17(14)29-19(13)16(25)12-24-20(26)22(23-21(24)27)10-11-28-18-9-5-3-7-15(18)22/h2-9H,10-12H2,1H3,(H,23,27).

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

3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 390.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 17473546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).