5-(2,5-difluorophenyl)-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C23H18F2N4O4S — CID 24598024

About 5-(2,5-difluorophenyl)-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-(2,5-difluorophenyl)-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 24598024) has the molecular formula C23H18F2N4O4S and a molecular weight of 484.48 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(2,5-difluorophenyl)-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 24598024
• Molecular Formula: C23H18F2N4O4S
• Molecular Weight: 484.48 g/mol
• Exact Mass: 484.10
• IUPAC Name: 5-(2,5-difluorophenyl)-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
• SMILES: CC1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N2N=C(c3cccs3)CC2c2ccco2)C1=O
• InChI: InChI=1S/C23H18F2N4O4S/c1-23(14-10-13(24)6-7-15(14)25)21(31)28(22(32)26-23)12-20(30)29-17(18-4-2-8-33-18)11-16(27-29)19-5-3-9-34-19/h2-10,17H,11-12H2,1H3,(H,26,32)
• InChIKey: DOEXJSAVFSHONG-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 95.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.48
LogP ≤ 5	3.76
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-(2,5-difluorophenyl)-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 5-(2,5-difluorophenyl)-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 24598024) is 5-(2,5-difluorophenyl)-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for 5-(2,5-difluorophenyl)-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for 5-(2,5-difluorophenyl)-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CC1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N2N=C(c3cccs3)CC2c2ccco2)C1=O.

What is the InChIKey of 5-(2,5-difluorophenyl)-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is DOEXJSAVFSHONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O4S/c1-23(14-10-13(24)6-7-15(14)25)21(31)28(22(32)26-23)12-20(30)29-17(18-4-2-8-33-18)11-16(27-29)19-5-3-9-34-19/h2-10,17H,11-12H2,1H3,(H,26,32).

What are the key properties of 5-(2,5-difluorophenyl)-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

5-(2,5-difluorophenyl)-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 484.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,5-difluorophenyl)-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 24598024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).