5-[5-(4-bromophenyl)furan-2-yl]-1-(4-chlorophenyl)-4-pyridin-2-ylimidazolidine-2-thione

C24H17BrClN3OS — CID 133182614

About 5-[5-(4-bromophenyl)furan-2-yl]-1-(4-chlorophenyl)-4-pyridin-2-ylimidazolidine-2-thione

5-[5-(4-bromophenyl)furan-2-yl]-1-(4-chlorophenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133182614) has the molecular formula C24H17BrClN3OS and a molecular weight of 510.84 g/mol. Its IUPAC name is 5-[5-(4-bromophenyl)furan-2-yl]-1-(4-chlorophenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 5-[5-(4-bromophenyl)furan-2-yl]-1-(4-chlorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 133182614
• Molecular Formula: C24H17BrClN3OS
• Molecular Weight: 510.84 g/mol
• Exact Mass: 509.00
• IUPAC Name: 5-[5-(4-bromophenyl)furan-2-yl]-1-(4-chlorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: S=C1NC(c2ccccn2)C(c2ccc(-c3ccc(Br)cc3)o2)N1c1ccc(Cl)cc1
• InChI: InChI=1S/C24H17BrClN3OS/c25-16-6-4-15(5-7-16)20-12-13-21(30-20)23-22(19-3-1-2-14-27-19)28-24(31)29(23)18-10-8-17(26)9-11-18/h1-14,22-23H,(H,28,31)
• InChIKey: SAKNZVJMLPGCLS-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 41.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.84
LogP ≤ 5	6.93
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-(4-bromophenyl)furan-2-yl]-1-(4-chlorophenyl)-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of 5-[5-(4-bromophenyl)furan-2-yl]-1-(4-chlorophenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133182614) is 5-[5-(4-bromophenyl)furan-2-yl]-1-(4-chlorophenyl)-4-pyridin-2-ylimidazolidine-2-thione.

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

The canonical SMILES for 5-[5-(4-bromophenyl)furan-2-yl]-1-(4-chlorophenyl)-4-pyridin-2-ylimidazolidine-2-thione is S=C1NC(c2ccccn2)C(c2ccc(-c3ccc(Br)cc3)o2)N1c1ccc(Cl)cc1.

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

The InChIKey is SAKNZVJMLPGCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrClN3OS/c25-16-6-4-15(5-7-16)20-12-13-21(30-20)23-22(19-3-1-2-14-27-19)28-24(31)29(23)18-10-8-17(26)9-11-18/h1-14,22-23H,(H,28,31).

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

5-[5-(4-bromophenyl)furan-2-yl]-1-(4-chlorophenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 510.84 g/mol, XLogP of 6.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(4-bromophenyl)furan-2-yl]-1-(4-chlorophenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133182614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).