5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione

C24H16Cl2FN3OS — CID 133182463

About 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione

5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133182463) has the molecular formula C24H16Cl2FN3OS and a molecular weight of 484.38 g/mol. Its IUPAC name is 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 133182463
• Molecular Formula: C24H16Cl2FN3OS
• Molecular Weight: 484.38 g/mol
• Exact Mass: 483.04
• IUPAC Name: 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: Fc1ccccc1N1C(=S)NC(c2ccccn2)C1c1ccc(-c2ccc(Cl)cc2Cl)o1
• InChI: InChI=1S/C24H16Cl2FN3OS/c25-14-8-9-15(16(26)13-14)20-10-11-21(31-20)23-22(18-6-3-4-12-28-18)29-24(32)30(23)19-7-2-1-5-17(19)27/h1-13,22-23H,(H,29,32)
• InChIKey: ONTCSNSHXJAEFD-UHFFFAOYSA-N
• XLogP: 6.96
• TPSA: 41.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.38
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133182463) is 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione.

What is the SMILES notation for 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione?

The canonical SMILES for 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione is Fc1ccccc1N1C(=S)NC(c2ccccn2)C1c1ccc(-c2ccc(Cl)cc2Cl)o1.

What is the InChIKey of 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione?

The InChIKey is ONTCSNSHXJAEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2FN3OS/c25-14-8-9-15(16(26)13-14)20-10-11-21(31-20)23-22(18-6-3-4-12-28-18)29-24(32)30(23)19-7-2-1-5-17(19)27/h1-13,22-23H,(H,29,32).

What are the key properties of 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione?

5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 484.38 g/mol, XLogP of 6.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133182463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).