1-ethyl-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

C21H22N4S — CID 133221611

IUPAC1-ethyl-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCN1C(=S)NC(c2ccccn2)C1c1cccn1-c1ccccc1C
InChIInChI=1S/C21H22N4S/c1-3-24-20(19(23-21(24)26)16-10-6-7-13-22-16)18-12-8-14-25(18)17-11-5-4-9-15(17)2/h4-14,19-20H,3H2,1-2H3,(H,23,26)
InChIKeyRABUOTXTNNMQJC-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.17
Rot. Bonds4

About 1-ethyl-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

1-ethyl-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133221611) has the molecular formula C21H22N4S and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-ethyl-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-ethyl-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133221611
Molecular FormulaC21H22N4S
Molecular Weight362.50 g/mol
Exact Mass362.16
IUPAC Name1-ethyl-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCN1C(=S)NC(c2ccccn2)C1c1cccn1-c1ccccc1C
InChIInChI=1S/C21H22N4S/c1-3-24-20(19(23-21(24)26)16-10-6-7-13-22-16)18-12-8-14-25(18)17-11-5-4-9-15(17)2/h4-14,19-20H,3H2,1-2H3,(H,23,26)
InChIKeyRABUOTXTNNMQJC-UHFFFAOYSA-N
XLogP4.17
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.17
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

5-[1-(2-methylphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222964
(4R,5R)-1-(3-anilinopropyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100532064
1-(3,4-dimethylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133158232
N-(4-fluorophenyl)-3-[5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 133208842
N-(2,5-dimethylphenyl)-3-[(4S,5S)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100705819
N-(3-methylphenyl)-3-[(4R,5R)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100711527
(4R,5S)-1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100501818
(4R,5R)-1-(4-bromo-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100507884
1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133224199
3-[2-(3-ethyl-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl)pyrrol-1-yl]benzoic acid
CID 133221624
1-benzyl-5-[1-(2-fluorophenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181119
5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221884

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-ethyl-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133221611) is 1-ethyl-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-ethyl-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-ethyl-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is CCN1C(=S)NC(c2ccccn2)C1c1cccn1-c1ccccc1C.
What is the InChIKey of 1-ethyl-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is RABUOTXTNNMQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4S/c1-3-24-20(19(23-21(24)26)16-10-6-7-13-22-16)18-12-8-14-25(18)17-11-5-4-9-15(17)2/h4-14,19-20H,3H2,1-2H3,(H,23,26).
What are the key properties of 1-ethyl-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
1-ethyl-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 362.50 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133221611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).