5-(1-benzofuran-2-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione

C22H18N4O4 — CID 55435865

About 5-(1-benzofuran-2-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione

5-(1-benzofuran-2-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 55435865) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(1-benzofuran-2-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 55435865
• Molecular Formula: C22H18N4O4
• Molecular Weight: 402.41 g/mol
• Exact Mass: 402.13
• IUPAC Name: 5-(1-benzofuran-2-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: Cc1ccc2nc(CN3C(=O)NC(C)(c4cc5ccccc5o4)C3=O)cc(=O)n2c1
• InChI: InChI=1S/C22H18N4O4/c1-13-7-8-18-23-15(10-19(27)25(18)11-13)12-26-20(28)22(2,24-21(26)29)17-9-14-5-3-4-6-16(14)30-17/h3-11H,12H2,1-2H3,(H,24,29)
• InChIKey: CWGOUMPDGNJNMS-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 96.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.41
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
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 5-(1-benzofuran-2-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of 5-(1-benzofuran-2-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione (CID 55435865) is 5-(1-benzofuran-2-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-(1-benzofuran-2-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-(1-benzofuran-2-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione is Cc1ccc2nc(CN3C(=O)NC(C)(c4cc5ccccc5o4)C3=O)cc(=O)n2c1.

What is the InChIKey of 5-(1-benzofuran-2-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is CWGOUMPDGNJNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c1-13-7-8-18-23-15(10-19(27)25(18)11-13)12-26-20(28)22(2,24-21(26)29)17-9-14-5-3-4-6-16(14)30-17/h3-11H,12H2,1-2H3,(H,24,29).

What are the key properties of 5-(1-benzofuran-2-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?

5-(1-benzofuran-2-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 402.41 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-benzofuran-2-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 55435865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).