1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione

C23H19N5OS — CID 133156281

IUPAC1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione
SMILESOc1ccc(N2C(=S)NC(c3ccccn3)C2c2cccn2-c2cccnc2)cc1
InChIInChI=1S/C23H19N5OS/c29-18-10-8-16(9-11-18)28-22(21(26-23(28)30)19-6-1-2-13-25-19)20-7-4-14-27(20)17-5-3-12-24-15-17/h1-15,21-22,29H,(H,26,30)
InChIKeyIXTPVWGKFQNNAM-UHFFFAOYSA-N
MW413.51 g/mol
LogP4.15
Rot. Bonds4

About 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione

1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione (PubChem CID 133156281) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione
PubChem CID133156281
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC Name1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione
SMILESOc1ccc(N2C(=S)NC(c3ccccn3)C2c2cccn2-c2cccnc2)cc1
InChIInChI=1S/C23H19N5OS/c29-18-10-8-16(9-11-18)28-22(21(26-23(28)30)19-6-1-2-13-25-19)20-7-4-14-27(20)17-5-3-12-24-15-17/h1-15,21-22,29H,(H,26,30)
InChIKeyIXTPVWGKFQNNAM-UHFFFAOYSA-N
XLogP4.15
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.15
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

1-(4-hydroxyphenyl)-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156385
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-(4-hydroxyphenyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156383
1-[4-(4-methylphenoxy)phenyl]-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione
CID 133183676
5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(4-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156387
(4S,5R)-1-(4-fluorophenyl)-5-(1-phenylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 99897450
1-(2-fluorophenyl)-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182440
2-methoxy-N-[4-[(4S,5S)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
CID 100566500
1-(4-methylphenyl)-5-(1-phenylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157895
(4R,5S)-1-(4-fluoro-3-methylphenyl)-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100502211
N-[2-methoxy-5-[4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
CID 133243786

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione?
The IUPAC name of 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione (CID 133156281) is 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione.
What is the SMILES notation for 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione?
The canonical SMILES for 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione is Oc1ccc(N2C(=S)NC(c3ccccn3)C2c2cccn2-c2cccnc2)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione?
The InChIKey is IXTPVWGKFQNNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS/c29-18-10-8-16(9-11-18)28-22(21(26-23(28)30)19-6-1-2-13-25-19)20-7-4-14-27(20)17-5-3-12-24-15-17/h1-15,21-22,29H,(H,26,30).
What are the key properties of 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione?
1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione has a molecular weight of 413.51 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione is sourced from PubChem (CID 133156281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).