5-(1-cyclohexylpyrrol-3-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione

C21H28N4S — CID 133221834

IUPAC5-(1-cyclohexylpyrrol-3-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCC(C)N1C(=S)NC(c2ccccn2)C1c1ccn(C2CCCCC2)c1
InChIInChI=1S/C21H28N4S/c1-15(2)25-20(19(23-21(25)26)18-10-6-7-12-22-18)16-11-13-24(14-16)17-8-4-3-5-9-17/h6-7,10-15,17,19-20H,3-5,8-9H2,1-2H3,(H,23,26)
InChIKeyBXJDFOADAJEPDK-UHFFFAOYSA-N
MW368.55 g/mol
LogP4.77
Rot. Bonds4

About 5-(1-cyclohexylpyrrol-3-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione

5-(1-cyclohexylpyrrol-3-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133221834) has the molecular formula C21H28N4S and a molecular weight of 368.55 g/mol. Its IUPAC name is 5-(1-cyclohexylpyrrol-3-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(1-cyclohexylpyrrol-3-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133221834
Molecular FormulaC21H28N4S
Molecular Weight368.55 g/mol
Exact Mass368.20
IUPAC Name5-(1-cyclohexylpyrrol-3-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCC(C)N1C(=S)NC(c2ccccn2)C1c1ccn(C2CCCCC2)c1
InChIInChI=1S/C21H28N4S/c1-15(2)25-20(19(23-21(25)26)18-10-6-7-12-22-18)16-11-13-24(14-16)17-8-4-3-5-9-17/h6-7,10-15,17,19-20H,3-5,8-9H2,1-2H3,(H,23,26)
InChIKeyBXJDFOADAJEPDK-UHFFFAOYSA-N
XLogP4.77
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 54.77
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

(4R,5S)-1-cyclopentyl-5-(1-cyclopentylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100527705
5-(1-cyclopentylpyrrol-3-yl)-1-ethyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221663
5-(1-cyclopentylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133222002
(4S,5S)-5-(1-cyclohexylpyrrol-3-yl)-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100602795
5-(1-cyclohexylpyrrol-3-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158686
5-(1-cyclopentylpyrrol-3-yl)-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133244091
1-cyclopentyl-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133241865
5-(1-cyclohexylpyrrol-3-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133224247
1-(3-anilinopropyl)-5-(1-cyclohexylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133242172
(4S,5S)-1-(3-chloro-4-methoxyphenyl)-5-(1-cyclohexylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100515601
1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 133221576
3-[(4R,5R)-5-(1-cyclopentylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-methylphenyl)propanamide
CID 100686250

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylpyrrol-3-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(1-cyclohexylpyrrol-3-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione (CID 133221834) is 5-(1-cyclohexylpyrrol-3-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(1-cyclohexylpyrrol-3-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(1-cyclohexylpyrrol-3-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione is CC(C)N1C(=S)NC(c2ccccn2)C1c1ccn(C2CCCCC2)c1.
What is the InChIKey of 5-(1-cyclohexylpyrrol-3-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is BXJDFOADAJEPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4S/c1-15(2)25-20(19(23-21(25)26)18-10-6-7-12-22-18)16-11-13-24(14-16)17-8-4-3-5-9-17/h6-7,10-15,17,19-20H,3-5,8-9H2,1-2H3,(H,23,26).
What are the key properties of 5-(1-cyclohexylpyrrol-3-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione?
5-(1-cyclohexylpyrrol-3-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 368.55 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylpyrrol-3-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133221834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).