1-(3-methoxyphenyl)-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

C25H21N3O2S — CID 133182949

About 1-(3-methoxyphenyl)-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

1-(3-methoxyphenyl)-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133182949) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 1-(3-methoxyphenyl)-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 133182949
• Molecular Formula: C25H21N3O2S
• Molecular Weight: 427.53 g/mol
• Exact Mass: 427.14
• IUPAC Name: 1-(3-methoxyphenyl)-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: COc1cccc(N2C(=S)NC(c3ccccn3)C2c2ccc(-c3ccccc3)o2)c1
• InChI: InChI=1S/C25H21N3O2S/c1-29-19-11-7-10-18(16-19)28-24(23(27-25(28)31)20-12-5-6-15-26-20)22-14-13-21(30-22)17-8-3-2-4-9-17/h2-16,23-24H,1H3,(H,27,31)
• InChIKey: QVRXJEMQZRLTBE-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 50.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.53
LogP ≤ 5	5.53
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-methoxyphenyl)-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of 1-(3-methoxyphenyl)-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133182949) is 1-(3-methoxyphenyl)-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

What is the SMILES notation for 1-(3-methoxyphenyl)-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?

The canonical SMILES for 1-(3-methoxyphenyl)-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is COc1cccc(N2C(=S)NC(c3ccccn3)C2c2ccc(-c3ccccc3)o2)c1.

What is the InChIKey of 1-(3-methoxyphenyl)-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?

The InChIKey is QVRXJEMQZRLTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2S/c1-29-19-11-7-10-18(16-19)28-24(23(27-25(28)31)20-12-5-6-15-26-20)22-14-13-21(30-22)17-8-3-2-4-9-17/h2-16,23-24H,1H3,(H,27,31).

What are the key properties of 1-(3-methoxyphenyl)-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?

1-(3-methoxyphenyl)-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 427.53 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methoxyphenyl)-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133182949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).