5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione

C21H25FN4O5 — CID 55510543

About 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione

5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 55510543) has the molecular formula C21H25FN4O5 and a molecular weight of 432.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
• PubChem CID: 55510543
• Molecular Formula: C21H25FN4O5
• Molecular Weight: 432.45 g/mol
• Exact Mass: 432.18
• IUPAC Name: 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
• SMILES: CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(C(=O)C3CCCO3)CC2)C1=O
• InChI: InChI=1S/C21H25FN4O5/c1-21(14-4-6-15(22)7-5-14)19(29)26(20(30)23-21)13-17(27)24-8-10-25(11-9-24)18(28)16-3-2-12-31-16/h4-7,16H,2-3,8-13H2,1H3,(H,23,30)
• InChIKey: GLYBRULYWHMUID-UHFFFAOYSA-N
• XLogP: 0.44
• TPSA: 99.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.45
LogP ≤ 5	0.44
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 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione?

The IUPAC name of 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione (CID 55510543) is 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(C(=O)C3CCCO3)CC2)C1=O.

What is the InChIKey of 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione?

The InChIKey is GLYBRULYWHMUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O5/c1-21(14-4-6-15(22)7-5-14)19(29)26(20(30)23-21)13-17(27)24-8-10-25(11-9-24)18(28)16-3-2-12-31-16/h4-7,16H,2-3,8-13H2,1H3,(H,23,30).

What are the key properties of 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione?

5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 432.45 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 55510543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).