1-cyclohexyl-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

C24H26N4OS — CID 133222803

IUPAC1-cyclohexyl-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESOc1ccc(-n2cccc2C2C(c3ccccn3)NC(=S)N2C2CCCCC2)cc1
InChIInChI=1S/C24H26N4OS/c29-19-13-11-17(12-14-19)27-16-6-10-21(27)23-22(20-9-4-5-15-25-20)26-24(30)28(23)18-7-2-1-3-8-18/h4-6,9-16,18,22-23,29H,1-3,7-8H2,(H,26,30)
InChIKeyASQHHRUYEQHNKA-UHFFFAOYSA-N
MW418.57 g/mol
LogP4.88
Rot. Bonds4

About 1-cyclohexyl-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

1-cyclohexyl-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133222803) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is 1-cyclohexyl-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-cyclohexyl-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133222803
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC Name1-cyclohexyl-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESOc1ccc(-n2cccc2C2C(c3ccccn3)NC(=S)N2C2CCCCC2)cc1
InChIInChI=1S/C24H26N4OS/c29-19-13-11-17(12-14-19)27-16-6-10-21(27)23-22(20-9-4-5-15-25-20)26-24(30)28(23)18-7-2-1-3-8-18/h4-6,9-16,18,22-23,29H,1-3,7-8H2,(H,26,30)
InChIKeyASQHHRUYEQHNKA-UHFFFAOYSA-N
XLogP4.88
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-5-[1-(4-bromophenyl)pyrrol-2-yl]-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100526209
(4S,5S)-1-cyclopentyl-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100525958
(4S,5R)-1-cyclopentyl-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100525965
1-cyclohexyl-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222802
(4R,5R)-1-cyclopentyl-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100526016
(4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione
CID 100522604
1-cyclopentyl-5-[1-(4-nitrophenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133241967
1-(4-hydroxyphenyl)-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156385
5-[1-(3-chloro-4-fluorophenyl)pyrrol-2-yl]-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133241878
1-(2-fluorophenyl)-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182440
(4S,5R)-5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100525879
5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133241949

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-cyclohexyl-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133222803) is 1-cyclohexyl-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-cyclohexyl-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-cyclohexyl-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is Oc1ccc(-n2cccc2C2C(c3ccccn3)NC(=S)N2C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is ASQHHRUYEQHNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS/c29-19-13-11-17(12-14-19)27-16-6-10-21(27)23-22(20-9-4-5-15-25-20)26-24(30)28(23)18-7-2-1-3-8-18/h4-6,9-16,18,22-23,29H,1-3,7-8H2,(H,26,30).
What are the key properties of 1-cyclohexyl-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
1-cyclohexyl-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 418.57 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133222803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).