1-cyclohexyl-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

C24H25N3OS — CID 133222816

About 1-cyclohexyl-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

1-cyclohexyl-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133222816) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is 1-cyclohexyl-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 1-cyclohexyl-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 133222816
• Molecular Formula: C24H25N3OS
• Molecular Weight: 403.55 g/mol
• Exact Mass: 403.17
• IUPAC Name: 1-cyclohexyl-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: S=C1NC(c2ccccn2)C(c2ccc(-c3ccccc3)o2)N1C1CCCCC1
• InChI: InChI=1S/C24H25N3OS/c29-24-26-22(19-13-7-8-16-25-19)23(27(24)18-11-5-2-6-12-18)21-15-14-20(28-21)17-9-3-1-4-10-17/h1,3-4,7-10,13-16,18,22-23H,2,5-6,11-12H2,(H,26,29)
• InChIKey: JOOMICRYLPGZKF-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 41.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.55
LogP ≤ 5	5.65
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-cyclohexyl-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of 1-cyclohexyl-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133222816) is 1-cyclohexyl-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

What is the SMILES notation for 1-cyclohexyl-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?

The canonical SMILES for 1-cyclohexyl-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is S=C1NC(c2ccccn2)C(c2ccc(-c3ccccc3)o2)N1C1CCCCC1.

What is the InChIKey of 1-cyclohexyl-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?

The InChIKey is JOOMICRYLPGZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS/c29-24-26-22(19-13-7-8-16-25-19)23(27(24)18-11-5-2-6-12-18)21-15-14-20(28-21)17-9-3-1-4-10-17/h1,3-4,7-10,13-16,18,22-23H,2,5-6,11-12H2,(H,26,29).

What are the key properties of 1-cyclohexyl-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?

1-cyclohexyl-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 403.55 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133222816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).