5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione

C22H19N3O4S — CID 146263079

IUPAC5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccncc2Sc2ccc(OCc3cccc(CO)c3)cc2)N1
InChIInChI=1S/C22H19N3O4S/c26-12-14-2-1-3-15(10-14)13-29-16-4-6-17(7-5-16)30-19-11-23-9-8-18(19)20-21(27)25-22(28)24-20/h1-11,20,26H,12-13H2,(H2,24,25,27,28)
InChIKeyWDSIYYDSHPQZAO-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.18
Rot. Bonds7

About 5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione

5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione (PubChem CID 146263079) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is 5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione
PubChem CID146263079
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC Name5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccncc2Sc2ccc(OCc3cccc(CO)c3)cc2)N1
InChIInChI=1S/C22H19N3O4S/c26-12-14-2-1-3-15(10-14)13-29-16-4-6-17(7-5-16)30-19-11-23-9-8-18(19)20-21(27)25-22(28)24-20/h1-11,20,26H,12-13H2,(H2,24,25,27,28)
InChIKeyWDSIYYDSHPQZAO-UHFFFAOYSA-N
XLogP3.18
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
CID 146263059
3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanylpyridine-4-carbaldehyde
CID 160733883
5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
CID 146263009
5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1-oxidopyridin-1-ium-3-yl]imidazolidine-2,4-dione
CID 176509444
5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
CID 67176968
5-[4-[2-fluoro-4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
CID 146262966
5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione
CID 146263030
5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one
CID 160828564
3-[3-[4-[(3-chlorophenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione
CID 160512892
4-[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]sulfanylphenol
CID 15407959
5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 132648826
5-[3-[4-[(2-methyl-4-pyridinyl)methylamino]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
CID 146262379

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione (CID 146263079) is 5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione is O=C1NC(=O)C(c2ccncc2Sc2ccc(OCc3cccc(CO)c3)cc2)N1.
What is the InChIKey of 5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is WDSIYYDSHPQZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c26-12-14-2-1-3-15(10-14)13-29-16-4-6-17(7-5-16)30-19-11-23-9-8-18(19)20-21(27)25-22(28)24-20/h1-11,20,26H,12-13H2,(H2,24,25,27,28).
What are the key properties of 5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione?
5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 421.48 g/mol, XLogP of 3.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 146263079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).