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

C25H18Cl3N3O2S — CID 133224564

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

1-(3-chloro-4-methoxyphenyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133224564) has the molecular formula C25H18Cl3N3O2S and a molecular weight of 530.86 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 1-(3-chloro-4-methoxyphenyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 133224564
• Molecular Formula: C25H18Cl3N3O2S
• Molecular Weight: 530.86 g/mol
• Exact Mass: 529.02
• IUPAC Name: 1-(3-chloro-4-methoxyphenyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: COc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(-c3cccc(Cl)c3Cl)o2)cc1Cl
• InChI: InChI=1S/C25H18Cl3N3O2S/c1-32-20-9-8-14(13-17(20)27)31-24(23(30-25(31)34)18-7-2-3-12-29-18)21-11-10-19(33-21)15-5-4-6-16(26)22(15)28/h2-13,23-24H,1H3,(H,30,34)
• InChIKey: KRLGZKRLHGZAJS-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 50.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.86
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133224564) is 1-(3-chloro-4-methoxyphenyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

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

The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is COc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(-c3cccc(Cl)c3Cl)o2)cc1Cl.

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

The InChIKey is KRLGZKRLHGZAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl3N3O2S/c1-32-20-9-8-14(13-17(20)27)31-24(23(30-25(31)34)18-7-2-3-12-29-18)21-11-10-19(33-21)15-5-4-6-16(26)22(15)28/h2-13,23-24H,1H3,(H,30,34).

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

1-(3-chloro-4-methoxyphenyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 530.86 g/mol, XLogP of 7.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-4-methoxyphenyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133224564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).