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

C23H30N4S — CID 133241949

IUPAC5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESS=C1NC(c2ccccn2)C(c2cccn2C2CCCCC2)N1C1CCCC1
InChIInChI=1S/C23H30N4S/c28-23-25-21(19-13-6-7-15-24-19)22(27(23)18-11-4-5-12-18)20-14-8-16-26(20)17-9-2-1-3-10-17/h6-8,13-18,21-22H,1-5,9-12H2,(H,25,28)
InChIKeyYIMVRNGXEFCLCT-UHFFFAOYSA-N
MW394.59 g/mol
LogP5.30
Rot. Bonds4

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

5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133241949) has the molecular formula C23H30N4S and a molecular weight of 394.59 g/mol. Its IUPAC name is 5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133241949
Molecular FormulaC23H30N4S
Molecular Weight394.59 g/mol
Exact Mass394.22
IUPAC Name5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESS=C1NC(c2ccccn2)C(c2cccn2C2CCCCC2)N1C1CCCC1
InChIInChI=1S/C23H30N4S/c28-23-25-21(19-13-6-7-15-24-19)22(27(23)18-11-4-5-12-18)20-14-8-16-26(20)17-9-2-1-3-10-17/h6-8,13-18,21-22H,1-5,9-12H2,(H,25,28)
InChIKeyYIMVRNGXEFCLCT-UHFFFAOYSA-N
XLogP5.30
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.59
LogP ≤ 55.30
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

(4S,5R)-5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100525879
(4R,5R)-5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100525870
1-cyclohexyl-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222803
(4S,5R)-1-cyclopentyl-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100525965
(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,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione
CID 100522604
1-cyclohexyl-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222725
1-cyclohexyl-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222802
1-cyclohexyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222716
(4S,5S)-5-(1-cyclohexylpyrrol-2-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100501752
(4R,5S)-5-(1-cyclohexylpyrrol-2-yl)-1-(4-cyclopentyloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100607743

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione (CID 133241949) is 5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione is S=C1NC(c2ccccn2)C(c2cccn2C2CCCCC2)N1C1CCCC1.
What is the InChIKey of 5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is YIMVRNGXEFCLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4S/c28-23-25-21(19-13-6-7-15-24-19)22(27(23)18-11-4-5-12-18)20-14-8-16-26(20)17-9-2-1-3-10-17/h6-8,13-18,21-22H,1-5,9-12H2,(H,25,28).
What are the key properties of 5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione?
5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 394.59 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133241949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).