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

C27H24F2N4S — CID 133224160

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

1-(4-fluoro-3-methylphenyl)-5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133224160) has the molecular formula C27H24F2N4S and a molecular weight of 474.58 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 1-(4-fluoro-3-methylphenyl)-5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 133224160
• Molecular Formula: C27H24F2N4S
• Molecular Weight: 474.58 g/mol
• Exact Mass: 474.17
• IUPAC Name: 1-(4-fluoro-3-methylphenyl)-5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: Cc1cc(N2C(=S)NC(c3ccccn3)C2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1F
• InChI: InChI=1S/C27H24F2N4S/c1-16-14-21(11-12-23(16)29)33-26(25(31-27(33)34)24-6-4-5-13-30-24)22-15-17(2)32(18(22)3)20-9-7-19(28)8-10-20/h4-15,25-26H,1-3H3,(H,31,34)
• InChIKey: JWFSEBUFPUCRBB-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 33.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.58
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of 1-(4-fluoro-3-methylphenyl)-5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133224160) is 1-(4-fluoro-3-methylphenyl)-5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione.

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

The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione is Cc1cc(N2C(=S)NC(c3ccccn3)C2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1F.

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

The InChIKey is JWFSEBUFPUCRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N4S/c1-16-14-21(11-12-23(16)29)33-26(25(31-27(33)34)24-6-4-5-13-30-24)22-15-17(2)32(18(22)3)20-9-7-19(28)8-10-20/h4-15,25-26H,1-3H3,(H,31,34).

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

1-(4-fluoro-3-methylphenyl)-5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 474.58 g/mol, XLogP of 6.25, 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-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133224160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).