5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-1-ethyl-4-pyridin-2-ylimidazolidine-2-thione

C22H25N5S — CID 133221606

IUPAC5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-1-ethyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCN1C(=S)NC(c2ccccn2)C1c1cc(C)n(-c2ccc(C)cn2)c1C
InChIInChI=1S/C22H25N5S/c1-5-26-21(20(25-22(26)28)18-8-6-7-11-23-18)17-12-15(3)27(16(17)4)19-10-9-14(2)13-24-19/h6-13,20-21H,5H2,1-4H3,(H,25,28)
InChIKeyWWFOSLCJMTXXTL-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.18
Rot. Bonds4

About 5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-1-ethyl-4-pyridin-2-ylimidazolidine-2-thione

5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-1-ethyl-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133221606) has the molecular formula C22H25N5S and a molecular weight of 391.54 g/mol. Its IUPAC name is 5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-1-ethyl-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-1-ethyl-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133221606
Molecular FormulaC22H25N5S
Molecular Weight391.54 g/mol
Exact Mass391.18
IUPAC Name5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-1-ethyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCN1C(=S)NC(c2ccccn2)C1c1cc(C)n(-c2ccc(C)cn2)c1C
InChIInChI=1S/C22H25N5S/c1-5-26-21(20(25-22(26)28)18-8-6-7-11-23-18)17-12-15(3)27(16(17)4)19-10-9-14(2)13-24-19/h6-13,20-21H,5H2,1-4H3,(H,25,28)
InChIKeyWWFOSLCJMTXXTL-UHFFFAOYSA-N
XLogP4.18
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
CID 133181795
2-[(4R,5S)-5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylacetamide
CID 100660487
(4R,5S)-1-(3-anilinopropyl)-5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100531870
2-[5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylacetamide
CID 133208364
3-[5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-methylphenyl)propanamide
CID 133208669
3-[(4R,5R)-5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(2-ethylphenyl)propanamide
CID 100676379
5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
CID 133181723
3-[(4S,5R)-5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
CID 100691362
1-ethyl-5-[1-(2-ethyl-6-methylphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133221603
5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-1-(4-morpholin-4-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156711
N-[4-[5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
CID 133156881
5-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222098

Frequently Asked Questions

What is the IUPAC name of 5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-1-ethyl-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-1-ethyl-4-pyridin-2-ylimidazolidine-2-thione (CID 133221606) is 5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-1-ethyl-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-1-ethyl-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-1-ethyl-4-pyridin-2-ylimidazolidine-2-thione is CCN1C(=S)NC(c2ccccn2)C1c1cc(C)n(-c2ccc(C)cn2)c1C.
What is the InChIKey of 5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-1-ethyl-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is WWFOSLCJMTXXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5S/c1-5-26-21(20(25-22(26)28)18-8-6-7-11-23-18)17-12-15(3)27(16(17)4)19-10-9-14(2)13-24-19/h6-13,20-21H,5H2,1-4H3,(H,25,28).
What are the key properties of 5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-1-ethyl-4-pyridin-2-ylimidazolidine-2-thione?
5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-1-ethyl-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 391.54 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-1-ethyl-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133221606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).