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

C23H22N4O5 — CID 24618771

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

5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 24618771) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 24618771
• Molecular Formula: C23H22N4O5
• Molecular Weight: 434.45 g/mol
• Exact Mass: 434.16
• IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-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)(c4ccc5c(c4)OCCCO5)C3=O)cc(=O)n2c1
• InChI: InChI=1S/C23H22N4O5/c1-14-4-7-19-24-16(11-20(28)26(19)12-14)13-27-21(29)23(2,25-22(27)30)15-5-6-17-18(10-15)32-9-3-8-31-17/h4-7,10-12H,3,8-9,13H2,1-2H3,(H,25,30)
• InChIKey: IYDALNHIDNTTIY-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 102.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.45
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione (CID 24618771) is 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-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)(c4ccc5c(c4)OCCCO5)C3=O)cc(=O)n2c1.

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

The InChIKey is IYDALNHIDNTTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-14-4-7-19-24-16(11-20(28)26(19)12-14)13-27-21(29)23(2,25-22(27)30)15-5-6-17-18(10-15)32-9-3-8-31-17/h4-7,10-12H,3,8-9,13H2,1-2H3,(H,25,30).

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

5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 434.45 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24618771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).