5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione

C23H26N4OS — CID 133183039

IUPAC5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCn1c(C)cc(C2C(c3ccccn3)NC(=S)N2c2ccccc2OC)c1C
InChIInChI=1S/C23H26N4OS/c1-5-26-15(2)14-17(16(26)3)22-21(18-10-8-9-13-24-18)25-23(29)27(22)19-11-6-7-12-20(19)28-4/h6-14,21-22H,5H2,1-4H3,(H,25,29)
InChIKeyRNHJIJGQRRFIEC-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.71
Rot. Bonds5

About 5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione

5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133183039) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is 5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133183039
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC Name5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCn1c(C)cc(C2C(c3ccccn3)NC(=S)N2c2ccccc2OC)c1C
InChIInChI=1S/C23H26N4OS/c1-5-26-15(2)14-17(16(26)3)22-21(18-10-8-9-13-24-18)25-23(29)27(22)19-11-6-7-12-20(19)28-4/h6-14,21-22H,5H2,1-4H3,(H,25,29)
InChIKeyRNHJIJGQRRFIEC-UHFFFAOYSA-N
XLogP4.71
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183062
5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182869
5-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183076
5-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183049
5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-[4-(4-methoxyphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183886
5-[2,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183089
5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183018
5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183013
1-(2,4-dimethoxyphenyl)-5-[2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133178157
(4R,5S)-1-(4-bromo-3-methylphenyl)-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100505971
1-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182389
1-(2,4-dimethoxyphenyl)-5-[2,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133178156

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133183039) is 5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione is CCn1c(C)cc(C2C(c3ccccn3)NC(=S)N2c2ccccc2OC)c1C.
What is the InChIKey of 5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is RNHJIJGQRRFIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-5-26-15(2)14-17(16(26)3)22-21(18-10-8-9-13-24-18)25-23(29)27(22)19-11-6-7-12-20(19)28-4/h6-14,21-22H,5H2,1-4H3,(H,25,29).
What are the key properties of 5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 406.56 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133183039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).