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

C25H22N4O2S — CID 133156383

IUPAC1-(4-hydroxyphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1cccc(-n2cccc2C2C(c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1
InChIInChI=1S/C25H22N4O2S/c1-31-20-7-4-6-18(16-20)28-15-5-9-22(28)24-23(21-8-2-3-14-26-21)27-25(32)29(24)17-10-12-19(30)13-11-17/h2-16,23-24,30H,1H3,(H,27,32)
InChIKeyCKJXTKHSYGGLNO-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.76
Rot. Bonds5

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

1-(4-hydroxyphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133156383) has the molecular formula C25H22N4O2S and a molecular weight of 442.54 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133156383
Molecular FormulaC25H22N4O2S
Molecular Weight442.54 g/mol
Exact Mass442.15
IUPAC Name1-(4-hydroxyphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1cccc(-n2cccc2C2C(c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1
InChIInChI=1S/C25H22N4O2S/c1-31-20-7-4-6-18(16-20)28-15-5-9-22(28)24-23(21-8-2-3-14-26-21)27-25(32)29(24)17-10-12-19(30)13-11-17/h2-16,23-24,30H,1H3,(H,27,32)
InChIKeyCKJXTKHSYGGLNO-UHFFFAOYSA-N
XLogP4.76
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(3-methoxyphenyl)pyrrol-2-yl]-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158815
1-(3,4-dimethylphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133158241
1-(4-hydroxyphenyl)-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156385
N-[4-[(4R,5R)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100618418
(4R,5R)-1-(4-bromo-3-methylphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100508224
1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione
CID 133156281
methyl 4-[2-[3-(3-methoxyphenyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]pyrrol-1-yl]benzoate
CID 133182987
5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(4-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156387
(4R,5S)-1-(3-chloro-4-methoxyphenyl)-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100514295
1-(4-fluorophenyl)-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182272
5-[1-(4-bromophenyl)pyrrol-2-yl]-1-(4-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156382
1-(2-hydroxyethyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181971

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-(4-hydroxyphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133156383) is 1-(4-hydroxyphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-(4-hydroxyphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-(4-hydroxyphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is COc1cccc(-n2cccc2C2C(c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1.
What is the InChIKey of 1-(4-hydroxyphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is CKJXTKHSYGGLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S/c1-31-20-7-4-6-18(16-20)28-15-5-9-22(28)24-23(21-8-2-3-14-26-21)27-25(32)29(24)17-10-12-19(30)13-11-17/h2-16,23-24,30H,1H3,(H,27,32).
What are the key properties of 1-(4-hydroxyphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
1-(4-hydroxyphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 442.54 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133156383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).