1-(2-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione

C25H18F4N4S — CID 133182432

About 1-(2-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione

1-(2-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione (PubChem CID 133182432) has the molecular formula C25H18F4N4S and a molecular weight of 482.51 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione.

Molecular Properties

• Compound Name: 1-(2-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione
• PubChem CID: 133182432
• Molecular Formula: C25H18F4N4S
• Molecular Weight: 482.51 g/mol
• Exact Mass: 482.12
• IUPAC Name: 1-(2-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione
• SMILES: Fc1ccccc1N1C(=S)NC(c2ccccn2)C1c1cccn1-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C25H18F4N4S/c26-18-9-1-2-11-20(18)33-23(22(31-24(33)34)19-10-3-4-13-30-19)21-12-6-14-32(21)17-8-5-7-16(15-17)25(27,28)29/h1-15,22-23H,(H,31,34)
• InChIKey: LFTLANSTLXDMRB-UHFFFAOYSA-N
• XLogP: 6.21
• 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	482.51
LogP ≤ 5	6.21
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-(2-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione?

The IUPAC name of 1-(2-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione (CID 133182432) is 1-(2-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione.

What is the SMILES notation for 1-(2-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione?

The canonical SMILES for 1-(2-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione is Fc1ccccc1N1C(=S)NC(c2ccccn2)C1c1cccn1-c1cccc(C(F)(F)F)c1.

What is the InChIKey of 1-(2-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione?

The InChIKey is LFTLANSTLXDMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N4S/c26-18-9-1-2-11-20(18)33-23(22(31-24(33)34)19-10-3-4-13-30-19)21-12-6-14-32(21)17-8-5-7-16(15-17)25(27,28)29/h1-15,22-23H,(H,31,34).

What are the key properties of 1-(2-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione?

1-(2-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione has a molecular weight of 482.51 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione is sourced from PubChem (CID 133182432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).