1-(4-fluoro-3-methylphenyl)-5-(1-methylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione

C20H19FN4S — CID 133224227

IUPAC1-(4-fluoro-3-methylphenyl)-5-(1-methylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(N2C(=S)NC(c3ccccn3)C2c2ccn(C)c2)ccc1F
InChIInChI=1S/C20H19FN4S/c1-13-11-15(6-7-16(13)21)25-19(14-8-10-24(2)12-14)18(23-20(25)26)17-5-3-4-9-22-17/h3-12,18-19H,1-2H3,(H,23,26)
InChIKeyMOOKKNNYEDUNGK-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.04
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-5-(1-methylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione

1-(4-fluoro-3-methylphenyl)-5-(1-methylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133224227) has the molecular formula C20H19FN4S and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-5-(1-methylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-5-(1-methylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133224227
Molecular FormulaC20H19FN4S
Molecular Weight366.47 g/mol
Exact Mass366.13
IUPAC Name1-(4-fluoro-3-methylphenyl)-5-(1-methylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(N2C(=S)NC(c3ccccn3)C2c2ccn(C)c2)ccc1F
InChIInChI=1S/C20H19FN4S/c1-13-11-15(6-7-16(13)21)25-19(14-8-10-24(2)12-14)18(23-20(25)26)17-5-3-4-9-22-17/h3-12,18-19H,1-2H3,(H,23,26)
InChIKeyMOOKKNNYEDUNGK-UHFFFAOYSA-N
XLogP4.04
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-3-methylphenyl)-5-(1-phenylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133224248
(4S,5R)-1-(4-bromo-3-methylphenyl)-5-(1-methylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100509600
5-(1-cyclohexylpyrrol-3-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133224247
(4S,5R)-1-(4-fluoro-3-methylphenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100503713
(4R,5S)-1-(4-fluoro-3-methylphenyl)-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100501707
5-[1-(3,4-dimethylphenyl)pyrrol-2-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133224216
(4R,5R)-5-(1-methylpyrrol-3-yl)-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100602720
1-(4-fluoro-3-methylphenyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione
CID 133224119
(4R,5S)-1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100501818
1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133224199
N-[4-[5-(1-methylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 133217243
5-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183330

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-5-(1-methylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-5-(1-methylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133224227) is 1-(4-fluoro-3-methylphenyl)-5-(1-methylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-5-(1-methylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-5-(1-methylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1cc(N2C(=S)NC(c3ccccn3)C2c2ccn(C)c2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-5-(1-methylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is MOOKKNNYEDUNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4S/c1-13-11-15(6-7-16(13)21)25-19(14-8-10-24(2)12-14)18(23-20(25)26)17-5-3-4-9-22-17/h3-12,18-19H,1-2H3,(H,23,26).
What are the key properties of 1-(4-fluoro-3-methylphenyl)-5-(1-methylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
1-(4-fluoro-3-methylphenyl)-5-(1-methylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 366.47 g/mol, XLogP of 4.04, 3 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-methylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133224227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).