5-(4-chlorophenyl)-5-ethyl-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione

C24H21ClN4O4S — CID 24592853

About 5-(4-chlorophenyl)-5-ethyl-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione

5-(4-chlorophenyl)-5-ethyl-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 24592853) has the molecular formula C24H21ClN4O4S and a molecular weight of 496.98 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-5-ethyl-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-5-ethyl-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione
• PubChem CID: 24592853
• Molecular Formula: C24H21ClN4O4S
• Molecular Weight: 496.98 g/mol
• Exact Mass: 496.10
• IUPAC Name: 5-(4-chlorophenyl)-5-ethyl-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione
• SMILES: CCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2N=C(c3cccs3)CC2c2ccco2)C1=O
• InChI: InChI=1S/C24H21ClN4O4S/c1-2-24(15-7-9-16(25)10-8-15)22(31)28(23(32)26-24)14-21(30)29-18(19-5-3-11-33-19)13-17(27-29)20-6-4-12-34-20/h3-12,18H,2,13-14H2,1H3,(H,26,32)
• InChIKey: WJQZNUWKWLMUTC-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 95.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.98
LogP ≤ 5	4.53
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-(4-chlorophenyl)-5-ethyl-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The IUPAC name of 5-(4-chlorophenyl)-5-ethyl-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 24592853) is 5-(4-chlorophenyl)-5-ethyl-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione.

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

The canonical SMILES for 5-(4-chlorophenyl)-5-ethyl-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione is CCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2N=C(c3cccs3)CC2c2ccco2)C1=O.

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

The InChIKey is WJQZNUWKWLMUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4S/c1-2-24(15-7-9-16(25)10-8-15)22(31)28(23(32)26-24)14-21(30)29-18(19-5-3-11-33-19)13-17(27-29)20-6-4-12-34-20/h3-12,18H,2,13-14H2,1H3,(H,26,32).

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

5-(4-chlorophenyl)-5-ethyl-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 496.98 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-5-ethyl-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24592853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).