5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione

C25H30N4OS — CID 133222405

IUPAC5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCc1ccc(-n2c(C)cc(C3C(c4ccccn4)NC(=S)N3CCOC)c2C)cc1
InChIInChI=1S/C25H30N4OS/c1-5-19-9-11-20(12-10-19)29-17(2)16-21(18(29)3)24-23(22-8-6-7-13-26-22)27-25(31)28(24)14-15-30-4/h6-13,16,23-24H,5,14-15H2,1-4H3,(H,27,31)
InChIKeyVGUMWXJRQJVNBZ-UHFFFAOYSA-N
MW434.61 g/mol
LogP4.67
Rot. Bonds7

About 5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione

5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133222405) has the molecular formula C25H30N4OS and a molecular weight of 434.61 g/mol. Its IUPAC name is 5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133222405
Molecular FormulaC25H30N4OS
Molecular Weight434.61 g/mol
Exact Mass434.21
IUPAC Name5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCc1ccc(-n2c(C)cc(C3C(c4ccccn4)NC(=S)N3CCOC)c2C)cc1
InChIInChI=1S/C25H30N4OS/c1-5-19-9-11-20(12-10-19)29-17(2)16-21(18(29)3)24-23(22-8-6-7-13-26-22)27-25(31)28(24)14-15-30-4/h6-13,16,23-24H,5,14-15H2,1-4H3,(H,27,31)
InChIKeyVGUMWXJRQJVNBZ-UHFFFAOYSA-N
XLogP4.67
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 54.67
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-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222411
5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222414
5-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221925
5-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222410
5-[2,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222444
3-[(4S,5S)-5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylpropanamide
CID 100667402
5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157855
1-butyl-5-[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222251
3-[5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-methylphenyl)propanamide
CID 133208630
N-(2-ethylphenyl)-3-[(4R,5S)-5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100674468
1-[2-(dimethylamino)ethyl]-5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223412
3-[(4S,5R)-5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(3-methylphenyl)propanamide
CID 100710129

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133222405) is 5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione is CCc1ccc(-n2c(C)cc(C3C(c4ccccn4)NC(=S)N3CCOC)c2C)cc1.
What is the InChIKey of 5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is VGUMWXJRQJVNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4OS/c1-5-19-9-11-20(12-10-19)29-17(2)16-21(18(29)3)24-23(22-8-6-7-13-26-22)27-25(31)28(24)14-15-30-4/h6-13,16,23-24H,5,14-15H2,1-4H3,(H,27,31).
What are the key properties of 5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 434.61 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133222405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).