5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione

C25H20ClN3O2S2 — CID 133183116

IUPAC5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccccc1N1C(=S)NC(c2ccccn2)C1c1ccc(Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C25H20ClN3O2S2/c1-30-20-8-3-2-7-19(20)29-24(23(28-25(29)32)18-6-4-5-15-27-18)21-13-14-22(31-21)33-17-11-9-16(26)10-12-17/h2-15,23-24H,1H3,(H,28,32)
InChIKeyHMLTYJUNLKFFTM-UHFFFAOYSA-N
MW494.04 g/mol
LogP6.66
Rot. Bonds6

About 5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione

5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133183116) has the molecular formula C25H20ClN3O2S2 and a molecular weight of 494.04 g/mol. Its IUPAC name is 5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133183116
Molecular FormulaC25H20ClN3O2S2
Molecular Weight494.04 g/mol
Exact Mass493.07
IUPAC Name5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccccc1N1C(=S)NC(c2ccccn2)C1c1ccc(Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C25H20ClN3O2S2/c1-30-20-8-3-2-7-19(20)29-24(23(28-25(29)32)18-6-4-5-15-27-18)21-13-14-22(31-21)33-17-11-9-16(26)10-12-17/h2-15,23-24H,1H3,(H,28,32)
InChIKeyHMLTYJUNLKFFTM-UHFFFAOYSA-N
XLogP6.66
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.04
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(2-methoxyphenyl)-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

1-(5-chloro-2-hydroxyphenyl)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133224062
1-(2,4-dimethoxyphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133178180
5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-[(4-methoxyphenyl)methyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181313
(4S,5R)-1-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100520682
N-[2-chloro-4-[(4S,5S)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-methylpropanamide
CID 100551779
N-[2-methoxy-4-[(4S,5R)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100631862
N-[2-methoxy-4-[5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 133207809
N-[2-methoxy-4-[5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
CID 133243018
N-[2-methoxy-4-[(4S,5R)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
CID 100561389
(4S,5S)-5-(5-phenylsulfanylfuran-2-yl)-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100601696
5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(oxolan-2-ylmethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223652
(4S,5S)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 125080234

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133183116) is 5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione is COc1ccccc1N1C(=S)NC(c2ccccn2)C1c1ccc(Sc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is HMLTYJUNLKFFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2S2/c1-30-20-8-3-2-7-19(20)29-24(23(28-25(29)32)18-6-4-5-15-27-18)21-13-14-22(31-21)33-17-11-9-16(26)10-12-17/h2-15,23-24H,1H3,(H,28,32).
What are the key properties of 5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 494.04 g/mol, XLogP of 6.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133183116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).