5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione

C23H26N4O2S — CID 133155377

IUPAC5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCOc1ccc(-n2cccc2C2C(c3ccccn3)NC(=S)N2CCCO)cc1
InChIInChI=1S/C23H26N4O2S/c1-2-29-18-11-9-17(10-12-18)26-14-5-8-20(26)22-21(19-7-3-4-13-24-19)25-23(30)27(22)15-6-16-28/h3-5,7-14,21-22,28H,2,6,15-16H2,1H3,(H,25,30)
InChIKeyBJURVMUTFUGIFE-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.63
Rot. Bonds8

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

5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133155377) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133155377
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCOc1ccc(-n2cccc2C2C(c3ccccn3)NC(=S)N2CCCO)cc1
InChIInChI=1S/C23H26N4O2S/c1-2-29-18-11-9-17(10-12-18)26-14-5-8-20(26)22-21(19-7-3-4-13-24-19)25-23(30)27(22)15-6-16-28/h3-5,7-14,21-22,28H,2,6,15-16H2,1H3,(H,25,30)
InChIKeyBJURVMUTFUGIFE-UHFFFAOYSA-N
XLogP3.63
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(4-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156387
1-(2-hydroxyethyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181971
3-[(4R,5S)-5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(3-methylphenyl)propanamide
CID 100711913
5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158818
5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-1-(4-ethoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156208
5-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222432
5-[1-(3-methoxyphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221963
5-[1-(3,4-dimethylphenyl)pyrrol-2-yl]-1-(4-ethoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156223
(4R,5R)-5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100502256
N-[4-[(4S,5S)-5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100618602
1-(2-methoxyethyl)-5-(1-naphthalen-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222471
(4R,5S)-1-(3-anilinopropyl)-5-[1-(4-fluorophenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100532267

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133155377) is 5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione is CCOc1ccc(-n2cccc2C2C(c3ccccn3)NC(=S)N2CCCO)cc1.
What is the InChIKey of 5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is BJURVMUTFUGIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-2-29-18-11-9-17(10-12-18)26-14-5-8-20(26)22-21(19-7-3-4-13-24-19)25-23(30)27(22)15-6-16-28/h3-5,7-14,21-22,28H,2,6,15-16H2,1H3,(H,25,30).
What are the key properties of 5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 422.55 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133155377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).