1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

C26H23FN4S — CID 133224199

About 1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133224199) has the molecular formula C26H23FN4S and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 133224199
• Molecular Formula: C26H23FN4S
• Molecular Weight: 442.56 g/mol
• Exact Mass: 442.16
• IUPAC Name: 1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: Cc1cc(N2C(=S)NC(c3ccccn3)C2c2cccn2-c2ccccc2C)ccc1F
• InChI: InChI=1S/C26H23FN4S/c1-17-8-3-4-10-22(17)30-15-7-11-23(30)25-24(21-9-5-6-14-28-21)29-26(32)31(25)19-12-13-20(27)18(2)16-19/h3-16,24-25H,1-2H3,(H,29,32)
• InChIKey: VSDIARPTOXWWRV-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 33.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.56
LogP ≤ 5	5.81
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-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of 1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133224199) is 1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is Cc1cc(N2C(=S)NC(c3ccccn3)C2c2cccn2-c2ccccc2C)ccc1F.

What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The InChIKey is VSDIARPTOXWWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4S/c1-17-8-3-4-10-22(17)30-15-7-11-23(30)25-24(21-9-5-6-14-28-21)29-26(32)31(25)19-12-13-20(27)18(2)16-19/h3-16,24-25H,1-2H3,(H,29,32).

What are the key properties of 1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 442.56 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133224199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).