3-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

C23H19FN4O3S2 — CID 24520306

About 3-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

3-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 24520306) has the molecular formula C23H19FN4O3S2 and a molecular weight of 482.56 g/mol. Its IUPAC name is 3-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
• PubChem CID: 24520306
• Molecular Formula: C23H19FN4O3S2
• Molecular Weight: 482.56 g/mol
• Exact Mass: 482.09
• IUPAC Name: 3-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
• SMILES: CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2N=C(c3cccs3)CC2c2cccs2)C1=O
• InChI: InChI=1S/C23H19FN4O3S2/c1-23(14-6-8-15(24)9-7-14)21(30)27(22(31)25-23)13-20(29)28-17(19-5-3-11-33-19)12-16(26-28)18-4-2-10-32-18/h2-11,17H,12-13H2,1H3,(H,25,31)
• InChIKey: DNVJHJWDCPLKKN-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 82.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.56
LogP ≤ 5	4.09
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 3-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?

The IUPAC name of 3-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 24520306) is 3-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.

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

The canonical SMILES for 3-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2N=C(c3cccs3)CC2c2cccs2)C1=O.

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

The InChIKey is DNVJHJWDCPLKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3S2/c1-23(14-6-8-15(24)9-7-14)21(30)27(22(31)25-23)13-20(29)28-17(19-5-3-11-33-19)12-16(26-28)18-4-2-10-32-18/h2-11,17H,12-13H2,1H3,(H,25,31).

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

3-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 482.56 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 24520306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).