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

C25H30N4O2S — CID 133156157

IUPAC1-(4-ethoxyphenyl)-5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCOc1ccc(N2C(=S)NC(c3ccccn3)C2c2cc(C)n(CCOC)c2C)cc1
InChIInChI=1S/C25H30N4O2S/c1-5-31-20-11-9-19(10-12-20)29-24(21-16-17(2)28(18(21)3)14-15-30-4)23(27-25(29)32)22-8-6-7-13-26-22/h6-13,16,23-24H,5,14-15H2,1-4H3,(H,27,32)
InChIKeyIYJVAJHEOOBTPJ-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.72
Rot. Bonds8

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

1-(4-ethoxyphenyl)-5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133156157) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133156157
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC Name1-(4-ethoxyphenyl)-5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCOc1ccc(N2C(=S)NC(c3ccccn3)C2c2cc(C)n(CCOC)c2C)cc1
InChIInChI=1S/C25H30N4O2S/c1-5-31-20-11-9-19(10-12-20)29-24(21-16-17(2)28(18(21)3)14-15-30-4)23(27-25(29)32)22-8-6-7-13-26-22/h6-13,16,23-24H,5,14-15H2,1-4H3,(H,27,32)
InChIKeyIYJVAJHEOOBTPJ-UHFFFAOYSA-N
XLogP4.72
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-1-(3-chloro-4-methoxyphenyl)-5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100512118
5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-[4-(4-methoxyphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183886
1-(4-ethoxyphenyl)-5-[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156176
5-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-(4-ethoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156171
N-[2-methoxy-4-[(4R,5R)-5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
CID 100561667
1-(4-ethoxyphenyl)-5-[1-(2-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156164
2-methoxy-N-[4-[(4R,5R)-5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]acetamide
CID 100580304
5-(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)-1-(4-ethoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156156
1-[3-chloro-4-(3,5-dimethylpiperidin-1-yl)phenyl]-5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133157517
5-[1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-(4-ethoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156198
5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182869
1-(4-ethoxyphenyl)-5-[1-(2-ethyl-6-methylphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156200

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-(4-ethoxyphenyl)-5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133156157) is 1-(4-ethoxyphenyl)-5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione is CCOc1ccc(N2C(=S)NC(c3ccccn3)C2c2cc(C)n(CCOC)c2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is IYJVAJHEOOBTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-5-31-20-11-9-19(10-12-20)29-24(21-16-17(2)28(18(21)3)14-15-30-4)23(27-25(29)32)22-8-6-7-13-26-22/h6-13,16,23-24H,5,14-15H2,1-4H3,(H,27,32).
What are the key properties of 1-(4-ethoxyphenyl)-5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione?
1-(4-ethoxyphenyl)-5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 450.61 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133156157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).