5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione

C24H28N4S — CID 133222068

IUPAC5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(C2C(c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1
InChIInChI=1S/C24H28N4S/c1-16(2)15-27-23(22(26-24(27)29)21-12-8-9-13-25-21)20-14-17(3)28(18(20)4)19-10-6-5-7-11-19/h5-14,16,22-23H,15H2,1-4H3,(H,26,29)
InChIKeyGOMRKTPBKPDDSO-UHFFFAOYSA-N
MW404.58 g/mol
LogP5.12
Rot. Bonds5

About 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione

5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133222068) has the molecular formula C24H28N4S and a molecular weight of 404.58 g/mol. Its IUPAC name is 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133222068
Molecular FormulaC24H28N4S
Molecular Weight404.58 g/mol
Exact Mass404.20
IUPAC Name5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(C2C(c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1
InChIInChI=1S/C24H28N4S/c1-16(2)15-27-23(22(26-24(27)29)21-12-8-9-13-25-21)20-14-17(3)28(18(20)4)19-10-6-5-7-11-19/h5-14,16,22-23H,15H2,1-4H3,(H,26,29)
InChIKeyGOMRKTPBKPDDSO-UHFFFAOYSA-N
XLogP5.12
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.58
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222077
5-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222098
5-[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222081
1-[2-(dimethylamino)ethyl]-5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223412
5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182085
5-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222064
5-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221925
2-[(4S,5R)-5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylacetamide
CID 100658051
(4R,5S)-5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100598648
5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221876
5-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-phenyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133157714
5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182381

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133222068) is 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1cc(C2C(c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1.
What is the InChIKey of 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is GOMRKTPBKPDDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4S/c1-16(2)15-27-23(22(26-24(27)29)21-12-8-9-13-25-21)20-14-17(3)28(18(20)4)19-10-6-5-7-11-19/h5-14,16,22-23H,15H2,1-4H3,(H,26,29).
What are the key properties of 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 404.58 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133222068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).