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

C21H17FN4O3S — CID 146262966

IUPAC5-[4-[2-fluoro-4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
SMILESCc1cc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)c(F)c2)ccn1
InChIInChI=1S/C21H17FN4O3S/c1-12-8-13(4-7-24-12)11-29-14-2-3-18(16(22)9-14)30-17-5-6-23-10-15(17)19-20(27)26-21(28)25-19/h2-10,19H,11H2,1H3,(H2,25,26,27,28)
InChIKeyHKKVAUZCGNRBNA-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.53
Rot. Bonds6

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

5-[4-[2-fluoro-4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 146262966) has the molecular formula C21H17FN4O3S and a molecular weight of 424.46 g/mol. Its IUPAC name is 5-[4-[2-fluoro-4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[2-fluoro-4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
PubChem CID146262966
Molecular FormulaC21H17FN4O3S
Molecular Weight424.46 g/mol
Exact Mass424.10
IUPAC Name5-[4-[2-fluoro-4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
SMILESCc1cc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)c(F)c2)ccn1
InChIInChI=1S/C21H17FN4O3S/c1-12-8-13(4-7-24-12)11-29-14-2-3-18(16(22)9-14)30-17-5-6-23-10-15(17)19-20(27)26-21(28)25-19/h2-10,19H,11H2,1H3,(H2,25,26,27,28)
InChIKeyHKKVAUZCGNRBNA-UHFFFAOYSA-N
XLogP3.53
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4-[2-fluoro-4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-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
5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
CID 146263009
5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione
CID 146263030
5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione
CID 146263079
4-[(3-fluoro-4-methylphenoxy)methyl]pyridine
CID 23377294
5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1-oxidopyridin-1-ium-3-yl]imidazolidine-2,4-dione
CID 176509444
5-[3-[4-[(2-methyl-4-pyridinyl)methylamino]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
CID 146262379
5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
CID 67176968
3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine
CID 107171333
(1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 107720608
(5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione
CID 708719
2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene
CID 107170178

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-fluoro-4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[4-[2-fluoro-4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione (CID 146262966) is 5-[4-[2-fluoro-4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-[2-fluoro-4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-[2-fluoro-4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione is Cc1cc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)c(F)c2)ccn1.
What is the InChIKey of 5-[4-[2-fluoro-4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is HKKVAUZCGNRBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3S/c1-12-8-13(4-7-24-12)11-29-14-2-3-18(16(22)9-14)30-17-5-6-23-10-15(17)19-20(27)26-21(28)25-19/h2-10,19H,11H2,1H3,(H2,25,26,27,28).
What are the key properties of 5-[4-[2-fluoro-4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione?
5-[4-[2-fluoro-4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 424.46 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-fluoro-4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 146262966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).