5-[5-(4-chlorophenyl)furan-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione

C19H16ClN3OS — CID 133221467

IUPAC5-[5-(4-chlorophenyl)furan-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCN1C(=S)NC(c2ccccn2)C1c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H16ClN3OS/c1-23-18(17(22-19(23)25)14-4-2-3-11-21-14)16-10-9-15(24-16)12-5-7-13(20)8-6-12/h2-11,17-18H,1H3,(H,22,25)
InChIKeyVXNMFYSGUQNTLR-UHFFFAOYSA-N
MW369.88 g/mol
LogP4.60
Rot. Bonds3

About 5-[5-(4-chlorophenyl)furan-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione

5-[5-(4-chlorophenyl)furan-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133221467) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is 5-[5-(4-chlorophenyl)furan-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-[5-(4-chlorophenyl)furan-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133221467
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC Name5-[5-(4-chlorophenyl)furan-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCN1C(=S)NC(c2ccccn2)C1c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H16ClN3OS/c1-23-18(17(22-19(23)25)14-4-2-3-11-21-14)16-10-9-15(24-16)12-5-7-13(20)8-6-12/h2-11,17-18H,1H3,(H,22,25)
InChIKeyVXNMFYSGUQNTLR-UHFFFAOYSA-N
XLogP4.60
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 54.60
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

5-[5-(4-bromophenyl)furan-2-yl]-1-(4-chlorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182614
N-[4-[(4S,5R)-5-[5-(4-chlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100619650
3-[(4S,5R)-5-[5-(4-chlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylpropanamide
CID 100670011
(4R,5S)-1-cyclopentyl-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100527211
1-cyclohexyl-5-(5-phenylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222816
(4R,5R)-1-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-5-[5-(4-chlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100520782
1-cyclohexyl-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222817
1-(4-bromophenyl)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182786
1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223488
3-[(4S,5R)-5-[5-(4-chlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
CID 100692837
3-[5-[5-(4-chlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
CID 133208868
N-[2-chloro-4-[(4S,5R)-5-[5-(4-chlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-methylpropanamide
CID 100551868

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-chlorophenyl)furan-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-[5-(4-chlorophenyl)furan-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione (CID 133221467) is 5-[5-(4-chlorophenyl)furan-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-[5-(4-chlorophenyl)furan-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-[5-(4-chlorophenyl)furan-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione is CN1C(=S)NC(c2ccccn2)C1c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[5-(4-chlorophenyl)furan-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is VXNMFYSGUQNTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c1-23-18(17(22-19(23)25)14-4-2-3-11-21-14)16-10-9-15(24-16)12-5-7-13(20)8-6-12/h2-11,17-18H,1H3,(H,22,25).
What are the key properties of 5-[5-(4-chlorophenyl)furan-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione?
5-[5-(4-chlorophenyl)furan-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 369.88 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-chlorophenyl)furan-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133221467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).