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

C24H17Br2N3OS — CID 133182786

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

1-(4-bromophenyl)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133182786) has the molecular formula C24H17Br2N3OS and a molecular weight of 555.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 1-(4-bromophenyl)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 133182786
• Molecular Formula: C24H17Br2N3OS
• Molecular Weight: 555.30 g/mol
• Exact Mass: 552.95
• IUPAC Name: 1-(4-bromophenyl)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: S=C1NC(c2ccccn2)C(c2ccc(-c3ccc(Br)cc3)o2)N1c1ccc(Br)cc1
• InChI: InChI=1S/C24H17Br2N3OS/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: RLWZRHDSBQDCTP-UHFFFAOYSA-N
• XLogP: 7.04
• 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	555.30
LogP ≤ 5	7.04
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 1-(4-bromophenyl)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of 1-(4-bromophenyl)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133182786) is 1-(4-bromophenyl)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

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

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

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

The InChIKey is RLWZRHDSBQDCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Br2N3OS/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 1-(4-bromophenyl)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

1-(4-bromophenyl)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 555.30 g/mol, XLogP of 7.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromophenyl)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133182786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).