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

C22H24N4O2S — CID 133223809

IUPAC1-(2,5-dimethoxyphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccc(OC)c(N2C(=S)NC(c3ccccn3)C2c2ccc(C)n2C)c1
InChIInChI=1S/C22H24N4O2S/c1-14-8-10-17(25(14)2)21-20(16-7-5-6-12-23-16)24-22(29)26(21)18-13-15(27-3)9-11-19(18)28-4/h5-13,20-21H,1-4H3,(H,24,29)
InChIKeyWIHBFWBGOWWNFK-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.92
Rot. Bonds5

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

1-(2,5-dimethoxyphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133223809) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133223809
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name1-(2,5-dimethoxyphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccc(OC)c(N2C(=S)NC(c3ccccn3)C2c2ccc(C)n2C)c1
InChIInChI=1S/C22H24N4O2S/c1-14-8-10-17(25(14)2)21-20(16-7-5-6-12-23-16)24-22(29)26(21)18-13-15(27-3)9-11-19(18)28-4/h5-13,20-21H,1-4H3,(H,24,29)
InChIKeyWIHBFWBGOWWNFK-UHFFFAOYSA-N
XLogP3.92
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183020
5-(1,5-dimethylpyrrol-2-yl)-1-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182859
1-(3-chloro-4-methoxyphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133224466
1-(2,5-dimethoxyphenyl)-5-[1-(3,4-dimethylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223892
N-[5-[(4S,5R)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methoxyphenyl]acetamide
CID 100591836
1-(2,5-dimethoxyphenyl)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione
CID 133223896
(4S,5S)-1-(3-chloro-4-methoxyphenyl)-5-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100515744
5-(1,5-dimethylpyrrol-2-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157830
4-[3-[3-(2,5-dimethoxyphenyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]-2,5-dimethylpyrrol-1-yl]benzoic acid
CID 133223849
(4R,5S)-1-(4-fluoro-3-methylphenyl)-5-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100503791
1-(2,5-dimethoxyphenyl)-5-[1-(oxolan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223812
1-(2-methoxyphenyl)-5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183027

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133223809) is 1-(2,5-dimethoxyphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is COc1ccc(OC)c(N2C(=S)NC(c3ccccn3)C2c2ccc(C)n2C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is WIHBFWBGOWWNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-14-8-10-17(25(14)2)21-20(16-7-5-6-12-23-16)24-22(29)26(21)18-13-15(27-3)9-11-19(18)28-4/h5-13,20-21H,1-4H3,(H,24,29).
What are the key properties of 1-(2,5-dimethoxyphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
1-(2,5-dimethoxyphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 408.53 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133223809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).