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

C27H26N4O2S — CID 133183062

IUPAC5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccccc1N1C(=S)NC(c2ccccn2)C1c1cc(C)n(-c2ccccc2O)c1C
InChIInChI=1S/C27H26N4O2S/c1-17-16-19(18(2)30(17)21-11-4-6-13-23(21)32)26-25(20-10-8-9-15-28-20)29-27(34)31(26)22-12-5-7-14-24(22)33-3/h4-16,25-26,32H,1-3H3,(H,29,34)
InChIKeyQANWEYYMAXGXLW-UHFFFAOYSA-N
MW470.60 g/mol
LogP5.38
Rot. Bonds5

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

5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133183062) has the molecular formula C27H26N4O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is 5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133183062
Molecular FormulaC27H26N4O2S
Molecular Weight470.60 g/mol
Exact Mass470.18
IUPAC Name5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccccc1N1C(=S)NC(c2ccccn2)C1c1cc(C)n(-c2ccccc2O)c1C
InChIInChI=1S/C27H26N4O2S/c1-17-16-19(18(2)30(17)21-11-4-6-13-23(21)32)26-25(20-10-8-9-15-28-20)29-27(34)31(26)22-12-5-7-14-24(22)33-3/h4-16,25-26,32H,1-3H3,(H,29,34)
InChIKeyQANWEYYMAXGXLW-UHFFFAOYSA-N
XLogP5.38
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.60
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(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-[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
5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183177
5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183039
N-[4-[(4S,5R)-5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methoxyphenyl]methanesulfonamide
CID 100627948
5-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183236
1-[4-(dimethylamino)phenyl]-5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156509
1-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182389
(4R,5R)-1-(4-fluoro-3-methylphenyl)-5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100500659

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133183062) is 5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione is COc1ccccc1N1C(=S)NC(c2ccccn2)C1c1cc(C)n(-c2ccccc2O)c1C.
What is the InChIKey of 5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is QANWEYYMAXGXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2S/c1-17-16-19(18(2)30(17)21-11-4-6-13-23(21)32)26-25(20-10-8-9-15-28-20)29-27(34)31(26)22-12-5-7-14-24(22)33-3/h4-16,25-26,32H,1-3H3,(H,29,34).
What are the key properties of 5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 470.60 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133183062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).