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

C18H24N4S — CID 133222218

IUPAC1-butyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCCCN1C(=S)NC(c2ccccn2)C1c1ccc(C)n1C
InChIInChI=1S/C18H24N4S/c1-4-5-12-22-17(15-10-9-13(2)21(15)3)16(20-18(22)23)14-8-6-7-11-19-14/h6-11,16-17H,4-5,12H2,1-3H3,(H,20,23)
InChIKeyGTFLUIPKPMPJFO-UHFFFAOYSA-N
MW328.49 g/mol
LogP3.50
Rot. Bonds5

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

1-butyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133222218) has the molecular formula C18H24N4S and a molecular weight of 328.49 g/mol. Its IUPAC name is 1-butyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-butyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133222218
Molecular FormulaC18H24N4S
Molecular Weight328.49 g/mol
Exact Mass328.17
IUPAC Name1-butyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCCCN1C(=S)NC(c2ccccn2)C1c1ccc(C)n1C
InChIInChI=1S/C18H24N4S/c1-4-5-12-22-17(15-10-9-13(2)21(15)3)16(20-18(22)23)14-8-6-7-11-19-14/h6-11,16-17H,4-5,12H2,1-3H3,(H,20,23)
InChIKeyGTFLUIPKPMPJFO-UHFFFAOYSA-N
XLogP3.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 53.50
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

methyl 4-[5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]butanoate
CID 133155789
1-butyl-5-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222335
3-[5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylpropanamide
CID 133244416
5-(1,5-dimethylpyrrol-2-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158569
5-(1,5-dimethylpyrrol-2-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157830
(4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100523581
3-[5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-naphthalen-1-ylpropanamide
CID 133197728
5-(4-bromothiophen-2-yl)-1-butyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133222187
5-(1,5-dimethylpyrrol-2-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183020
1-butyl-4-pyridin-2-yl-5-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione
CID 133222217
5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221884
1-butyl-5-[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222251

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-butyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133222218) is 1-butyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-butyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-butyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is CCCCN1C(=S)NC(c2ccccn2)C1c1ccc(C)n1C.
What is the InChIKey of 1-butyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is GTFLUIPKPMPJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4S/c1-4-5-12-22-17(15-10-9-13(2)21(15)3)16(20-18(22)23)14-8-6-7-11-19-14/h6-11,16-17H,4-5,12H2,1-3H3,(H,20,23).
What are the key properties of 1-butyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
1-butyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 328.49 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133222218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).