5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione

C26H23FN4S — CID 133182381

IUPAC5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(C2C(c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1
InChIInChI=1S/C26H23FN4S/c1-17-16-20(18(2)30(17)19-10-4-3-5-11-19)25-24(22-13-8-9-15-28-22)29-26(32)31(25)23-14-7-6-12-21(23)27/h3-16,24-25H,1-2H3,(H,29,32)
InChIKeyZSHRWRZCWPLUOL-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.81
Rot. Bonds4

About 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione

5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133182381) has the molecular formula C26H23FN4S and a molecular weight of 442.56 g/mol. Its IUPAC name is 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133182381
Molecular FormulaC26H23FN4S
Molecular Weight442.56 g/mol
Exact Mass442.16
IUPAC Name5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(C2C(c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1
InChIInChI=1S/C26H23FN4S/c1-17-16-20(18(2)30(17)19-10-4-3-5-11-19)25-24(22-13-8-9-15-28-22)29-26(32)31(25)23-14-7-6-12-21(23)27/h3-16,24-25H,1-2H3,(H,29,32)
InChIKeyZSHRWRZCWPLUOL-UHFFFAOYSA-N
XLogP5.81
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182389
5-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182394
5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182339
1-(3,5-dimethylphenyl)-5-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133158428
1-(2-fluorophenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione
CID 133182373
5-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183214
5-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-phenyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133157714
5-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183049
1-(4-fluoro-3-methylphenyl)-5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133224160
5-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183236
5-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1-(4-morpholin-4-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156670
(4R,5S)-5-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100598962

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133182381) is 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1cc(C2C(c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1.
What is the InChIKey of 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is ZSHRWRZCWPLUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4S/c1-17-16-20(18(2)30(17)19-10-4-3-5-11-19)25-24(22-13-8-9-15-28-22)29-26(32)31(25)23-14-7-6-12-21(23)27/h3-16,24-25H,1-2H3,(H,29,32).
What are the key properties of 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-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 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133182381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).