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

C21H22N4O2S — CID 133183190

IUPAC1-(2-hydroxyphenyl)-5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOCCn1cccc1C1C(c2ccccn2)NC(=S)N1c1ccccc1O
InChIInChI=1S/C21H22N4O2S/c1-27-14-13-24-12-6-9-17(24)20-19(15-7-4-5-11-22-15)23-21(28)25(20)16-8-2-3-10-18(16)26/h2-12,19-20,26H,13-14H2,1H3,(H,23,28)
InChIKeyQLZAXLSNRYXYKT-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.41
Rot. Bonds6

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

1-(2-hydroxyphenyl)-5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133183190) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133183190
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name1-(2-hydroxyphenyl)-5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOCCn1cccc1C1C(c2ccccn2)NC(=S)N1c1ccccc1O
InChIInChI=1S/C21H22N4O2S/c1-27-14-13-24-12-6-9-17(24)20-19(15-7-4-5-11-22-15)23-21(28)25(20)16-8-2-3-10-18(16)26/h2-12,19-20,26H,13-14H2,1H3,(H,23,28)
InChIKeyQLZAXLSNRYXYKT-UHFFFAOYSA-N
XLogP3.41
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.41
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

(4R,5R)-5-[1-(2-methoxyethyl)pyrrol-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100598012
methyl 4-[5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]butanoate
CID 133155802
N-[2-methoxy-4-[5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
CID 133242924
2-methoxy-N-[4-[5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]acetamide
CID 133243461
N-[2-chloro-4-[(4S,5R)-5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-methoxyacetamide
CID 100573935
N-[4-[(4S,5R)-5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]methanesulfonamide
CID 100637388
3-[(4S,5R)-5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylpropanamide
CID 100666545
5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222387
1-(2,5-dimethoxyphenyl)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione
CID 133223896
1-(2-hydroxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 133182153
5-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222432
5-(1,5-dimethylpyrrol-2-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183020

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-(2-hydroxyphenyl)-5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133183190) is 1-(2-hydroxyphenyl)-5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-(2-hydroxyphenyl)-5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-(2-hydroxyphenyl)-5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is COCCn1cccc1C1C(c2ccccn2)NC(=S)N1c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is QLZAXLSNRYXYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-27-14-13-24-12-6-9-17(24)20-19(15-7-4-5-11-22-15)23-21(28)25(20)16-8-2-3-10-18(16)26/h2-12,19-20,26H,13-14H2,1H3,(H,23,28).
What are the key properties of 1-(2-hydroxyphenyl)-5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
1-(2-hydroxyphenyl)-5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 394.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133183190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).