5-(1,5-dimethylpyrrol-2-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

C22H24N4S — CID 133158569

IUPAC5-(1,5-dimethylpyrrol-2-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(C)n2C)cc1
InChIInChI=1S/C22H24N4S/c1-4-16-9-11-17(12-10-16)26-21(19-13-8-15(2)25(19)3)20(24-22(26)27)18-7-5-6-14-23-18/h5-14,20-21H,4H2,1-3H3,(H,24,27)
InChIKeyJCSIJAXBTGFCNL-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.47
Rot. Bonds4

About 5-(1,5-dimethylpyrrol-2-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

5-(1,5-dimethylpyrrol-2-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133158569) has the molecular formula C22H24N4S and a molecular weight of 376.53 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrrol-2-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(1,5-dimethylpyrrol-2-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133158569
Molecular FormulaC22H24N4S
Molecular Weight376.53 g/mol
Exact Mass376.17
IUPAC Name5-(1,5-dimethylpyrrol-2-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(C)n2C)cc1
InChIInChI=1S/C22H24N4S/c1-4-16-9-11-17(12-10-16)26-21(19-13-8-15(2)25(19)3)20(24-22(26)27)18-7-5-6-14-23-18/h5-14,20-21H,4H2,1-3H3,(H,24,27)
InChIKeyJCSIJAXBTGFCNL-UHFFFAOYSA-N
XLogP4.47
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.47
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

5-(1,5-dimethylpyrrol-2-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157830
(4R,5S)-1-(4-bromo-3-methylphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100505594
5-(1,5-dimethylpyrrol-2-yl)-1-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182859
1-(4-ethylphenyl)-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158633
1-(3-chloro-4-methoxyphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133224466
1-butyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222218
5-(1,5-dimethylpyrrol-2-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183020
5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157855
5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158559
5-[2,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158630
N-[4-[(4R,5R)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]-2-methoxyacetamide
CID 100579743
5-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158611

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrrol-2-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(1,5-dimethylpyrrol-2-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133158569) is 5-(1,5-dimethylpyrrol-2-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(1,5-dimethylpyrrol-2-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(1,5-dimethylpyrrol-2-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is CCc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(C)n2C)cc1.
What is the InChIKey of 5-(1,5-dimethylpyrrol-2-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is JCSIJAXBTGFCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4S/c1-4-16-9-11-17(12-10-16)26-21(19-13-8-15(2)25(19)3)20(24-22(26)27)18-7-5-6-14-23-18/h5-14,20-21H,4H2,1-3H3,(H,24,27).
What are the key properties of 5-(1,5-dimethylpyrrol-2-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-(1,5-dimethylpyrrol-2-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 376.53 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrrol-2-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133158569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).