5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(3,5-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

C26H21Cl2N3OS — CID 133158503

IUPAC5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(3,5-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(C)cc(N2C(=S)NC(c3ccccn3)C2c2ccc(-c3ccc(Cl)cc3Cl)o2)c1
InChIInChI=1S/C26H21Cl2N3OS/c1-15-11-16(2)13-18(12-15)31-25(24(30-26(31)33)21-5-3-4-10-29-21)23-9-8-22(32-23)19-7-6-17(27)14-20(19)28/h3-14,24-25H,1-2H3,(H,30,33)
InChIKeyAGFCSQJJRSVRGA-UHFFFAOYSA-N
MW494.45 g/mol
LogP7.44
Rot. Bonds4

About 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(3,5-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(3,5-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133158503) has the molecular formula C26H21Cl2N3OS and a molecular weight of 494.45 g/mol. Its IUPAC name is 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(3,5-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(3,5-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133158503
Molecular FormulaC26H21Cl2N3OS
Molecular Weight494.45 g/mol
Exact Mass493.08
IUPAC Name5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(3,5-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(C)cc(N2C(=S)NC(c3ccccn3)C2c2ccc(-c3ccc(Cl)cc3Cl)o2)c1
InChIInChI=1S/C26H21Cl2N3OS/c1-15-11-16(2)13-18(12-15)31-25(24(30-26(31)33)21-5-3-4-10-29-21)23-9-8-22(32-23)19-7-6-17(27)14-20(19)28/h3-14,24-25H,1-2H3,(H,30,33)
InChIKeyAGFCSQJJRSVRGA-UHFFFAOYSA-N
XLogP7.44
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.45
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100509108
5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(4-ethoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156241
(4S,5S)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100602172
5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182463
N-[2-chloro-4-[(4R,5S)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-methylpropanamide
CID 100552166
N-[4-[(4S,5R)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]-2-methoxyacetamide
CID 100583492
N-[4-[(4S,5S)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100620858
5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158267
1-(3,5-dimethylphenyl)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133158514
3-[(4R,5R)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-methylphenyl)propanamide
CID 100685613
(4S,5R)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100521354
1-[3-chloro-4-(3,5-dimethylpiperidin-1-yl)phenyl]-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133157617

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(3,5-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(3,5-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133158503) is 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(3,5-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(3,5-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(3,5-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1cc(C)cc(N2C(=S)NC(c3ccccn3)C2c2ccc(-c3ccc(Cl)cc3Cl)o2)c1.
What is the InChIKey of 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(3,5-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is AGFCSQJJRSVRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2N3OS/c1-15-11-16(2)13-18(12-15)31-25(24(30-26(31)33)21-5-3-4-10-29-21)23-9-8-22(32-23)19-7-6-17(27)14-20(19)28/h3-14,24-25H,1-2H3,(H,30,33).
What are the key properties of 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(3,5-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(3,5-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 494.45 g/mol, XLogP of 7.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(3,5-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133158503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).