5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione

C24H20F3N5O4 — CID 24889697

About 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione (PubChem CID 24889697) has the molecular formula C24H20F3N5O4 and a molecular weight of 499.45 g/mol. Its IUPAC name is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione
• PubChem CID: 24889697
• Molecular Formula: C24H20F3N5O4
• Molecular Weight: 499.45 g/mol
• Exact Mass: 499.15
• IUPAC Name: 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(CC1(c3ccc(-c4cnn(C)c4C(F)(F)F)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C24H20F3N5O4/c1-31-19(24(25,26)27)18(10-28-31)13-3-6-15(7-4-13)23(21(34)29-22(35)30-23)12-32-11-14-5-8-16(36-2)9-17(14)20(32)33/h3-10H,11-12H2,1-2H3,(H2,29,30,34,35)
• InChIKey: XLPZPLXGBVTKPX-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.45
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione?

The IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione (CID 24889697) is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3ccc(-c4cnn(C)c4C(F)(F)F)cc3)NC(=O)NC1=O)C2.

What is the InChIKey of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione?

The InChIKey is XLPZPLXGBVTKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O4/c1-31-19(24(25,26)27)18(10-28-31)13-3-6-15(7-4-13)23(21(34)29-22(35)30-23)12-32-11-14-5-8-16(36-2)9-17(14)20(32)33/h3-10H,11-12H2,1-2H3,(H2,29,30,34,35).

What are the key properties of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione?

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione has a molecular weight of 499.45 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24889697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).