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

C21H22N4S — CID 133158108

IUPAC5-(1-ethylpyrrol-2-yl)-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCn1cccc1C1C(c2ccccn2)NC(=S)N1c1cccc(C)c1
InChIInChI=1S/C21H22N4S/c1-3-24-13-7-11-18(24)20-19(17-10-4-5-12-22-17)23-21(26)25(20)16-9-6-8-15(2)14-16/h4-14,19-20H,3H2,1-2H3,(H,23,26)
InChIKeyWKGPQYKMAIAADF-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.39
Rot. Bonds4

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

5-(1-ethylpyrrol-2-yl)-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133158108) has the molecular formula C21H22N4S and a molecular weight of 362.50 g/mol. Its IUPAC name is 5-(1-ethylpyrrol-2-yl)-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(1-ethylpyrrol-2-yl)-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133158108
Molecular FormulaC21H22N4S
Molecular Weight362.50 g/mol
Exact Mass362.16
IUPAC Name5-(1-ethylpyrrol-2-yl)-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCn1cccc1C1C(c2ccccn2)NC(=S)N1c1cccc(C)c1
InChIInChI=1S/C21H22N4S/c1-3-24-13-7-11-18(24)20-19(17-10-4-5-12-22-17)23-21(26)25(20)16-9-6-8-15(2)14-16/h4-14,19-20H,3H2,1-2H3,(H,23,26)
InChIKeyWKGPQYKMAIAADF-UHFFFAOYSA-N
XLogP4.39
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.39
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-(3,5-dimethylphenyl)-5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133162526
5-[1-(3,4-dimethylphenyl)pyrrol-2-yl]-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158078
(4S,5R)-5-(1-ethylpyrrol-2-yl)-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100602670
1-(3,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158466
5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221884
N-[2-methyl-4-[(4S,5R)-5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
CID 100554668
N-[4-[(4S,5S)-5-(1-ethylpyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methoxyphenyl]methanesulfonamide
CID 100633520
N-[4-[(4S,5S)-5-(1-ethylpyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]-2-methoxyacetamide
CID 100583894
1-(2-methoxyphenyl)-5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183027
1-(3-methylphenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione
CID 133158004
N-[4-[(4R,5R)-5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100612484
N-[4-[(4S,5S)-5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100612432

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrrol-2-yl)-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(1-ethylpyrrol-2-yl)-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133158108) is 5-(1-ethylpyrrol-2-yl)-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(1-ethylpyrrol-2-yl)-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(1-ethylpyrrol-2-yl)-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is CCn1cccc1C1C(c2ccccn2)NC(=S)N1c1cccc(C)c1.
What is the InChIKey of 5-(1-ethylpyrrol-2-yl)-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is WKGPQYKMAIAADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4S/c1-3-24-13-7-11-18(24)20-19(17-10-4-5-12-22-17)23-21(26)25(20)16-9-6-8-15(2)14-16/h4-14,19-20H,3H2,1-2H3,(H,23,26).
What are the key properties of 5-(1-ethylpyrrol-2-yl)-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-(1-ethylpyrrol-2-yl)-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 362.50 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrrol-2-yl)-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133158108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).