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

C22H22FN3O2S — CID 133222647

IUPAC5-[5-(4-fluorophenyl)furan-2-yl]-1-(3-methoxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOCCCN1C(=S)NC(c2ccccn2)C1c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H22FN3O2S/c1-27-14-4-13-26-21(20(25-22(26)29)17-5-2-3-12-24-17)19-11-10-18(28-19)15-6-8-16(23)9-7-15/h2-3,5-12,20-21H,4,13-14H2,1H3,(H,25,29)
InChIKeyTVBCTBTVWQENAC-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.49
Rot. Bonds7

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

5-[5-(4-fluorophenyl)furan-2-yl]-1-(3-methoxypropyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133222647) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)furan-2-yl]-1-(3-methoxypropyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)furan-2-yl]-1-(3-methoxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133222647
Molecular FormulaC22H22FN3O2S
Molecular Weight411.50 g/mol
Exact Mass411.14
IUPAC Name5-[5-(4-fluorophenyl)furan-2-yl]-1-(3-methoxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOCCCN1C(=S)NC(c2ccccn2)C1c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H22FN3O2S/c1-27-14-4-13-26-21(20(25-22(26)29)17-5-2-3-12-24-17)19-11-10-18(28-19)15-6-8-16(23)9-7-15/h2-3,5-12,20-21H,4,13-14H2,1H3,(H,25,29)
InChIKeyTVBCTBTVWQENAC-UHFFFAOYSA-N
XLogP4.49
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223488
5-[5-(4-fluorophenyl)furan-2-yl]-1-[(4-methoxyphenyl)methyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181315
2-[5-[3-(3-methoxypropyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoic acid
CID 133222652
methyl 4-[5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]butanoate
CID 133155891
N-(4-fluorophenyl)-3-[(4R,5S)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100692797
3-[(4R,5R)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylpropanamide
CID 100669964
4-[5-[3-(3-hydroxypropyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoic acid
CID 133155397
methyl 4-[5-[3-[2-(dimethylamino)ethyl]-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoate
CID 133223524
N-(2-ethylphenyl)-3-[(4S,5R)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100677852
N-(2-ethylphenyl)-3-[(4S,5S)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100677873
3-[5-[5-(4-chlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
CID 133208868
3-[(4S,5R)-5-[5-(4-chlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
CID 100692837

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)furan-2-yl]-1-(3-methoxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-[5-(4-fluorophenyl)furan-2-yl]-1-(3-methoxypropyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133222647) is 5-[5-(4-fluorophenyl)furan-2-yl]-1-(3-methoxypropyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-[5-(4-fluorophenyl)furan-2-yl]-1-(3-methoxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-[5-(4-fluorophenyl)furan-2-yl]-1-(3-methoxypropyl)-4-pyridin-2-ylimidazolidine-2-thione is COCCCN1C(=S)NC(c2ccccn2)C1c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-[5-(4-fluorophenyl)furan-2-yl]-1-(3-methoxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is TVBCTBTVWQENAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2S/c1-27-14-4-13-26-21(20(25-22(26)29)17-5-2-3-12-24-17)19-11-10-18(28-19)15-6-8-16(23)9-7-15/h2-3,5-12,20-21H,4,13-14H2,1H3,(H,25,29).
What are the key properties of 5-[5-(4-fluorophenyl)furan-2-yl]-1-(3-methoxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-[5-(4-fluorophenyl)furan-2-yl]-1-(3-methoxypropyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 411.50 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)furan-2-yl]-1-(3-methoxypropyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133222647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).