1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

C19H24N4S — CID 133222843

IUPAC1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccc(C2C(c3ccccn3)NC(=S)N2C2CCCCC2)[nH]1
InChIInChI=1S/C19H24N4S/c1-13-10-11-16(21-13)18-17(15-9-5-6-12-20-15)22-19(24)23(18)14-7-3-2-4-8-14/h5-6,9-12,14,17-18,21H,2-4,7-8H2,1H3,(H,22,24)
InChIKeyABKGJNCWUPJIEQ-UHFFFAOYSA-N
MW340.50 g/mol
LogP4.02
Rot. Bonds3

About 1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133222843) has the molecular formula C19H24N4S and a molecular weight of 340.50 g/mol. Its IUPAC name is 1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133222843
Molecular FormulaC19H24N4S
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC Name1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccc(C2C(c3ccccn3)NC(=S)N2C2CCCCC2)[nH]1
InChIInChI=1S/C19H24N4S/c1-13-10-11-16(21-13)18-17(15-9-5-6-12-20-15)22-19(24)23(18)14-7-3-2-4-8-14/h5-6,9-12,14,17-18,21H,2-4,7-8H2,1H3,(H,22,24)
InChIKeyABKGJNCWUPJIEQ-UHFFFAOYSA-N
XLogP4.02
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 100522537
(4R,5S)-1-cyclopentyl-5-(2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100522733
(4R,5R)-5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100525870
(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
(4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100523581
(4S,5R)-1-cyclopentyl-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100523215
5-(5-methyl-1H-pyrrol-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133222005
1-(4-chlorophenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182638
1-cyclohexyl-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 133222689
(4S,5S)-1-(4-cyclopentyloxyphenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100609884
(4R,5S)-1-(4-cyclopentyloxyphenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100609903

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133222843) is 1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1ccc(C2C(c3ccccn3)NC(=S)N2C2CCCCC2)[nH]1.
What is the InChIKey of 1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is ABKGJNCWUPJIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S/c1-13-10-11-16(21-13)18-17(15-9-5-6-12-20-15)22-19(24)23(18)14-7-3-2-4-8-14/h5-6,9-12,14,17-18,21H,2-4,7-8H2,1H3,(H,22,24).
What are the key properties of 1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 340.50 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133222843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).