5-[5-(4-fluorophenyl)furan-2-yl]-1-[4-(2-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione

C31H24FN3O2S — CID 133183628

About 5-[5-(4-fluorophenyl)furan-2-yl]-1-[4-(2-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione

5-[5-(4-fluorophenyl)furan-2-yl]-1-[4-(2-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133183628) has the molecular formula C31H24FN3O2S and a molecular weight of 521.62 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)furan-2-yl]-1-[4-(2-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 5-[5-(4-fluorophenyl)furan-2-yl]-1-[4-(2-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 133183628
• Molecular Formula: C31H24FN3O2S
• Molecular Weight: 521.62 g/mol
• Exact Mass: 521.16
• IUPAC Name: 5-[5-(4-fluorophenyl)furan-2-yl]-1-[4-(2-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: Cc1ccccc1Oc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(-c3ccc(F)cc3)o2)cc1
• InChI: InChI=1S/C31H24FN3O2S/c1-20-6-2-3-8-26(20)36-24-15-13-23(14-16-24)35-30(29(34-31(35)38)25-7-4-5-19-33-25)28-18-17-27(37-28)21-9-11-22(32)12-10-21/h2-19,29-30H,1H3,(H,34,38)
• InChIKey: DZCHOMXBGVZHFW-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 50.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.62
LogP ≤ 5	7.76
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 5-[5-(4-fluorophenyl)furan-2-yl]-1-[4-(2-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of 5-[5-(4-fluorophenyl)furan-2-yl]-1-[4-(2-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133183628) is 5-[5-(4-fluorophenyl)furan-2-yl]-1-[4-(2-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione.

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

The canonical SMILES for 5-[5-(4-fluorophenyl)furan-2-yl]-1-[4-(2-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione is Cc1ccccc1Oc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(-c3ccc(F)cc3)o2)cc1.

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

The InChIKey is DZCHOMXBGVZHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24FN3O2S/c1-20-6-2-3-8-26(20)36-24-15-13-23(14-16-24)35-30(29(34-31(35)38)25-7-4-5-19-33-25)28-18-17-27(37-28)21-9-11-22(32)12-10-21/h2-19,29-30H,1H3,(H,34,38).

What are the key properties of 5-[5-(4-fluorophenyl)furan-2-yl]-1-[4-(2-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione?

5-[5-(4-fluorophenyl)furan-2-yl]-1-[4-(2-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 521.62 g/mol, XLogP of 7.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(4-fluorophenyl)furan-2-yl]-1-[4-(2-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133183628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).