5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione

C25H26Cl2N4O2S — CID 133223166

About 5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione

5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133223166) has the molecular formula C25H26Cl2N4O2S and a molecular weight of 517.48 g/mol. Its IUPAC name is 5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 133223166
• Molecular Formula: C25H26Cl2N4O2S
• Molecular Weight: 517.48 g/mol
• Exact Mass: 516.12
• IUPAC Name: 5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: S=C1NC(c2ccccn2)C(c2ccc(-c3cccc(Cl)c3Cl)o2)N1CCCN1CCOCC1
• InChI: InChI=1S/C25H26Cl2N4O2S/c26-18-6-3-5-17(22(18)27)20-8-9-21(33-20)24-23(19-7-1-2-10-28-19)29-25(34)31(24)12-4-11-30-13-15-32-16-14-30/h1-3,5-10,23-24H,4,11-16H2,(H,29,34)
• InChIKey: SZHYHQTZJARWMJ-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 53.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.48
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
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 5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of 5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133223166) is 5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione.

What is the SMILES notation for 5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione?

The canonical SMILES for 5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione is S=C1NC(c2ccccn2)C(c2ccc(-c3cccc(Cl)c3Cl)o2)N1CCCN1CCOCC1.

What is the InChIKey of 5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione?

The InChIKey is SZHYHQTZJARWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N4O2S/c26-18-6-3-5-17(22(18)27)20-8-9-21(33-20)24-23(19-7-1-2-10-28-19)29-25(34)31(24)12-4-11-30-13-15-32-16-14-30/h1-3,5-10,23-24H,4,11-16H2,(H,29,34).

What are the key properties of 5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione?

5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 517.48 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133223166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).