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

C25H19ClFN3O2S — CID 133224556

IUPAC1-(3-chloro-4-methoxyphenyl)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(-c3ccc(F)cc3)o2)cc1Cl
InChIInChI=1S/C25H19ClFN3O2S/c1-31-21-10-9-17(14-18(21)26)30-24(23(29-25(30)33)19-4-2-3-13-28-19)22-12-11-20(32-22)15-5-7-16(27)8-6-15/h2-14,23-24H,1H3,(H,29,33)
InChIKeyOBMBHQNKYUHUMR-UHFFFAOYSA-N
MW479.96 g/mol
LogP6.32
Rot. Bonds5

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

1-(3-chloro-4-methoxyphenyl)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133224556) has the molecular formula C25H19ClFN3O2S and a molecular weight of 479.96 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133224556
Molecular FormulaC25H19ClFN3O2S
Molecular Weight479.96 g/mol
Exact Mass479.09
IUPAC Name1-(3-chloro-4-methoxyphenyl)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(-c3ccc(F)cc3)o2)cc1Cl
InChIInChI=1S/C25H19ClFN3O2S/c1-31-21-10-9-17(14-18(21)26)30-24(23(29-25(30)33)19-4-2-3-13-28-19)22-12-11-20(32-22)15-5-7-16(27)8-6-15/h2-14,23-24H,1H3,(H,29,33)
InChIKeyOBMBHQNKYUHUMR-UHFFFAOYSA-N
XLogP6.32
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.96
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-1-(3-chloro-4-methoxyphenyl)-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100514733
(4S,5S)-1-(3-chloro-4-methoxyphenyl)-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100515122
(4S,5S)-1-(3-chloro-4-methoxyphenyl)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100515437
(4S,5S)-5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(3-chloro-4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100515293
1-(3-chloro-4-methoxyphenyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133224564
(4S,5S)-1-(3-chloro-4-methoxyphenyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100515058
(4R,5R)-1-(3-chloro-4-methoxyphenyl)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100515166
5-[5-(4-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183970
1-[3-chloro-4-(3,5-dimethylpiperidin-1-yl)phenyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133157599
methyl 2-[5-[(4R,5S)-3-(3-chloro-4-methoxyphenyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoate
CID 100516188
N-[5-[(4S,5R)-5-[5-(4-chlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methoxyphenyl]methanesulfonamide
CID 100653004
N-[5-[(4R,5S)-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methoxyphenyl]acetamide
CID 100595383

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133224556) is 1-(3-chloro-4-methoxyphenyl)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is COc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(-c3ccc(F)cc3)o2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is OBMBHQNKYUHUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN3O2S/c1-31-21-10-9-17(14-18(21)26)30-24(23(29-25(30)33)19-4-2-3-13-28-19)22-12-11-20(32-22)15-5-7-16(27)8-6-15/h2-14,23-24H,1H3,(H,29,33).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
1-(3-chloro-4-methoxyphenyl)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 479.96 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133224556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).