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

C24H24Cl2N4O2S — CID 133223000

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

5-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133223000) has the molecular formula C24H24Cl2N4O2S and a molecular weight of 503.46 g/mol. Its IUPAC name is 5-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 5-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 133223000
• Molecular Formula: C24H24Cl2N4O2S
• Molecular Weight: 503.46 g/mol
• Exact Mass: 502.10
• IUPAC Name: 5-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: S=C1NC(c2ccccn2)C(c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1CCN1CCOCC1
• InChI: InChI=1S/C24H24Cl2N4O2S/c25-17-5-4-16(15-18(17)26)20-6-7-21(32-20)23-22(19-3-1-2-8-27-19)28-24(33)30(23)10-9-29-11-13-31-14-12-29/h1-8,15,22-23H,9-14H2,(H,28,33)
• InChIKey: KZCIKSAGOIZWBI-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 53.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.46
LogP ≤ 5	4.95
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-(3,4-dichlorophenyl)furan-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of 5-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133223000) is 5-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione.

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

The canonical SMILES for 5-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione is S=C1NC(c2ccccn2)C(c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1CCN1CCOCC1.

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

The InChIKey is KZCIKSAGOIZWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O2S/c25-17-5-4-16(15-18(17)26)20-6-7-21(32-20)23-22(19-3-1-2-8-27-19)28-24(33)30(23)10-9-29-11-13-31-14-12-29/h1-8,15,22-23H,9-14H2,(H,28,33).

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

5-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 503.46 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133223000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).