4-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile

C24H19N5O4S — CID 46689047

About 4-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile

4-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile (PubChem CID 46689047) has the molecular formula C24H19N5O4S and a molecular weight of 473.51 g/mol. Its IUPAC name is 4-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
• PubChem CID: 46689047
• Molecular Formula: C24H19N5O4S
• Molecular Weight: 473.51 g/mol
• Exact Mass: 473.12
• IUPAC Name: 4-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
• SMILES: CC1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2N=C(c3cccs3)CC2c2ccco2)C1=O
• InChI: InChI=1S/C24H19N5O4S/c1-24(16-8-6-15(13-25)7-9-16)22(31)28(23(32)26-24)14-21(30)29-18(19-4-2-10-33-19)12-17(27-29)20-5-3-11-34-20/h2-11,18H,12,14H2,1H3,(H,26,32)
• InChIKey: OYNGUIOFMJVUBX-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 119.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.51
LogP ≤ 5	3.36
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 4-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?

The IUPAC name of 4-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile (CID 46689047) is 4-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile.

What is the SMILES notation for 4-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?

The canonical SMILES for 4-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile is CC1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2N=C(c3cccs3)CC2c2ccco2)C1=O.

What is the InChIKey of 4-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?

The InChIKey is OYNGUIOFMJVUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O4S/c1-24(16-8-6-15(13-25)7-9-16)22(31)28(23(32)26-24)14-21(30)29-18(19-4-2-10-33-19)12-17(27-29)20-5-3-11-34-20/h2-11,18H,12,14H2,1H3,(H,26,32).

What are the key properties of 4-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?

4-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile has a molecular weight of 473.51 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile is sourced from PubChem (CID 46689047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).