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

C22H24N4OS — CID 133221963

IUPAC5-[1-(3-methoxyphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCCN1C(=S)NC(c2ccccn2)C1c1cccn1-c1cccc(OC)c1
InChIInChI=1S/C22H24N4OS/c1-3-13-26-21(20(24-22(26)28)18-10-4-5-12-23-18)19-11-7-14-25(19)16-8-6-9-17(15-16)27-2/h4-12,14-15,20-21H,3,13H2,1-2H3,(H,24,28)
InChIKeyJGNADRVEWVAAFE-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.26
Rot. Bonds6

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

5-[1-(3-methoxyphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133221963) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 5-[1-(3-methoxyphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-[1-(3-methoxyphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133221963
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name5-[1-(3-methoxyphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCCN1C(=S)NC(c2ccccn2)C1c1cccn1-c1cccc(OC)c1
InChIInChI=1S/C22H24N4OS/c1-3-13-26-21(20(24-22(26)28)18-10-4-5-12-23-18)19-11-7-14-25(19)16-8-6-9-17(15-16)27-2/h4-12,14-15,20-21H,3,13H2,1-2H3,(H,24,28)
InChIKeyJGNADRVEWVAAFE-UHFFFAOYSA-N
XLogP4.26
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181971
5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221884
3-[(4R,5S)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(3-methylphenyl)propanamide
CID 100711809
1-(2-methoxyethyl)-5-(1-naphthalen-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222471
1-(4-hydroxyphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156383
1-(3,4-dimethylphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133158241
5-[1-(3-methoxyphenyl)pyrrol-2-yl]-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158815
(4R,5R)-1-(4-bromo-3-methylphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100508224
3-[2-[3-(3-methoxy-3-oxopropyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]pyrrol-1-yl]benzoic acid
CID 133155713
5-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222432
3-[2-(3-ethyl-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl)pyrrol-1-yl]benzoic acid
CID 133221624
5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
CID 133181733

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methoxyphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-[1-(3-methoxyphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione (CID 133221963) is 5-[1-(3-methoxyphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-[1-(3-methoxyphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-[1-(3-methoxyphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione is CCCN1C(=S)NC(c2ccccn2)C1c1cccn1-c1cccc(OC)c1.
What is the InChIKey of 5-[1-(3-methoxyphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is JGNADRVEWVAAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-3-13-26-21(20(24-22(26)28)18-10-4-5-12-23-18)19-11-7-14-25(19)16-8-6-9-17(15-16)27-2/h4-12,14-15,20-21H,3,13H2,1-2H3,(H,24,28).
What are the key properties of 5-[1-(3-methoxyphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
5-[1-(3-methoxyphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 392.53 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methoxyphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133221963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).