5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione

C22H22ClN3O2S — CID 133155402

IUPAC5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1c(Cl)cccc1-c1ccc(C2C(c3ccccn3)NC(=S)N2CCCO)o1
InChIInChI=1S/C22H22ClN3O2S/c1-14-15(6-4-7-16(14)23)18-9-10-19(28-18)21-20(17-8-2-3-11-24-17)25-22(29)26(21)12-5-13-27/h2-4,6-11,20-21,27H,5,12-13H2,1H3,(H,25,29)
InChIKeyAXTPRYSKISUKFU-UHFFFAOYSA-N
MW427.96 g/mol
LogP4.66
Rot. Bonds6

About 5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione

5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133155402) has the molecular formula C22H22ClN3O2S and a molecular weight of 427.96 g/mol. Its IUPAC name is 5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133155402
Molecular FormulaC22H22ClN3O2S
Molecular Weight427.96 g/mol
Exact Mass427.11
IUPAC Name5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1c(Cl)cccc1-c1ccc(C2C(c3ccccn3)NC(=S)N2CCCO)o1
InChIInChI=1S/C22H22ClN3O2S/c1-14-15(6-4-7-16(14)23)18-9-10-19(28-18)21-20(17-8-2-3-11-24-17)25-22(29)26(21)12-5-13-27/h2-4,6-11,20-21,27H,5,12-13H2,1H3,(H,25,29)
InChIKeyAXTPRYSKISUKFU-UHFFFAOYSA-N
XLogP4.66
TPSA61.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.96
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[5-(3-chloro-2-methylphenyl)furan-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-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-[3-(dimethylamino)propyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223339
3-[(4S,5R)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylpropanamide
CID 100670471
5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221768
3-[(4S,5S)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(2-ethylphenyl)propanamide
CID 100678505
3-[(4S,5R)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(2-ethylphenyl)propanamide
CID 100678482
3-[5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 133209217
(4R,5S)-1-(3-anilinopropyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100533253
(4S,5R)-1-(3-anilinopropyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100533279
1-(3-anilinopropyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133242155
5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223166
4-[5-[3-(3-hydroxypropyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoic acid
CID 133155397
1-(1,3-benzodioxol-5-yl)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133157089

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133155402) is 5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1c(Cl)cccc1-c1ccc(C2C(c3ccccn3)NC(=S)N2CCCO)o1.
What is the InChIKey of 5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is AXTPRYSKISUKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2S/c1-14-15(6-4-7-16(14)23)18-9-10-19(28-18)21-20(17-8-2-3-11-24-17)25-22(29)26(21)12-5-13-27/h2-4,6-11,20-21,27H,5,12-13H2,1H3,(H,25,29).
What are the key properties of 5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 427.96 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133155402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).