1-(5-chloro-2-hydroxyphenyl)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

C24H17Cl2N3O2S2 — CID 133224062

About 1-(5-chloro-2-hydroxyphenyl)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

1-(5-chloro-2-hydroxyphenyl)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133224062) has the molecular formula C24H17Cl2N3O2S2 and a molecular weight of 514.46 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 1-(5-chloro-2-hydroxyphenyl)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 133224062
• Molecular Formula: C24H17Cl2N3O2S2
• Molecular Weight: 514.46 g/mol
• Exact Mass: 513.01
• IUPAC Name: 1-(5-chloro-2-hydroxyphenyl)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: Oc1ccc(Cl)cc1N1C(=S)NC(c2ccccn2)C1c1ccc(Sc2ccc(Cl)cc2)o1
• InChI: InChI=1S/C24H17Cl2N3O2S2/c25-14-4-7-16(8-5-14)33-21-11-10-20(31-21)23-22(17-3-1-2-12-27-17)28-24(32)29(23)18-13-15(26)6-9-19(18)30/h1-13,22-23,30H,(H,28,32)
• InChIKey: QLEFHFSCYZSFLP-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 61.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.46
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133224062) is 1-(5-chloro-2-hydroxyphenyl)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is Oc1ccc(Cl)cc1N1C(=S)NC(c2ccccn2)C1c1ccc(Sc2ccc(Cl)cc2)o1.

What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The InChIKey is QLEFHFSCYZSFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O2S2/c25-14-4-7-16(8-5-14)33-21-11-10-20(31-21)23-22(17-3-1-2-12-27-17)28-24(32)29(23)18-13-15(26)6-9-19(18)30/h1-13,22-23,30H,(H,28,32).

What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

1-(5-chloro-2-hydroxyphenyl)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 514.46 g/mol, XLogP of 7.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloro-2-hydroxyphenyl)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133224062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).