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

C23H26N4OS — CID 133182869

IUPAC5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCn1c(C)cc(C2C(c3ccccn3)NC(=S)N2c2cccc(OC)c2)c1C
InChIInChI=1S/C23H26N4OS/c1-5-26-15(2)13-19(16(26)3)22-21(20-11-6-7-12-24-20)25-23(29)27(22)17-9-8-10-18(14-17)28-4/h6-14,21-22H,5H2,1-4H3,(H,25,29)
InChIKeyNEUMMCRFSIGHSG-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.71
Rot. Bonds5

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

5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133182869) 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-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133182869
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC Name5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCn1c(C)cc(C2C(c3ccccn3)NC(=S)N2c2cccc(OC)c2)c1C
InChIInChI=1S/C23H26N4OS/c1-5-26-15(2)13-19(16(26)3)22-21(20-11-6-7-12-24-20)25-23(29)27(22)17-9-8-10-18(14-17)28-4/h6-14,21-22H,5H2,1-4H3,(H,25,29)
InChIKeyNEUMMCRFSIGHSG-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-ethyl-2,5-dimethylpyrrol-3-yl)-1-[4-(4-methoxyphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183886
5-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-phenyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133157702
5-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182905
5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183039
1-(4-methoxyphenyl)-5-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156007
5-[2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrol-3-yl]-1-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182866
(4R,5S)-1-(4-bromo-3-methylphenyl)-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100505971
(4R,5S)-1-(3-chloro-4-methoxyphenyl)-5-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100512851
5-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-[4-(4-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183740
N-[4-[(4R,5S)-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100613450
N-[4-[(4S,5S)-5-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]propanamide
CID 100556070
5-(1,5-dimethylpyrrol-2-yl)-1-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182859

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133182869) is 5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione is CCn1c(C)cc(C2C(c3ccccn3)NC(=S)N2c2cccc(OC)c2)c1C.
What is the InChIKey of 5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is NEUMMCRFSIGHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-5-26-15(2)13-19(16(26)3)22-21(20-11-6-7-12-24-20)25-23(29)27(22)17-9-8-10-18(14-17)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-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(3-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-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133182869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).