5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione

C22H24N4S — CID 133221884

IUPAC5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCCN1C(=S)NC(c2ccccn2)C1c1cccn1-c1cccc(C)c1
InChIInChI=1S/C22H24N4S/c1-3-13-26-21(20(24-22(26)27)18-10-4-5-12-23-18)19-11-7-14-25(19)17-9-6-8-16(2)15-17/h4-12,14-15,20-21H,3,13H2,1-2H3,(H,24,27)
InChIKeySUOVGZBUBPUHCU-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.56
Rot. Bonds5

About 5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione

5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133221884) has the molecular formula C22H24N4S and a molecular weight of 376.53 g/mol. Its IUPAC name is 5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133221884
Molecular FormulaC22H24N4S
Molecular Weight376.53 g/mol
Exact Mass376.17
IUPAC Name5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCCN1C(=S)NC(c2ccccn2)C1c1cccn1-c1cccc(C)c1
InChIInChI=1S/C22H24N4S/c1-3-13-26-21(20(24-22(26)27)18-10-4-5-12-23-18)19-11-7-14-25(19)17-9-6-8-16(2)15-17/h4-12,14-15,20-21H,3,13H2,1-2H3,(H,24,27)
InChIKeySUOVGZBUBPUHCU-UHFFFAOYSA-N
XLogP4.56
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.56
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-(3-methoxyphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221963
5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
CID 133181733
1-(3,5-dimethylphenyl)-5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133162526
1-(2-hydroxyethyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181971
5-[1-(3,4-dimethylphenyl)pyrrol-2-yl]-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158078
1-(2-methoxyphenyl)-5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183027
3-[2-(3-ethyl-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl)pyrrol-1-yl]benzoic acid
CID 133221624
3-[(4R,5S)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(3-methylphenyl)propanamide
CID 100711809
5-(1-ethylpyrrol-2-yl)-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158108
3-[2-[3-[3-(dimethylamino)propyl]-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]pyrrol-1-yl]benzoic acid
CID 133223315
3-[(4R,5R)-5-[1-(3-chlorophenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 100703100
1-(2-methoxyethyl)-5-(1-naphthalen-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222471

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione (CID 133221884) is 5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione is CCCN1C(=S)NC(c2ccccn2)C1c1cccn1-c1cccc(C)c1.
What is the InChIKey of 5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is SUOVGZBUBPUHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4S/c1-3-13-26-21(20(24-22(26)27)18-10-4-5-12-23-18)19-11-7-14-25(19)17-9-6-8-16(2)15-17/h4-12,14-15,20-21H,3,13H2,1-2H3,(H,24,27).
What are the key properties of 5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 376.53 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133221884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).