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

C22H19N3O3S — CID 146263009

IUPAC5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
SMILESCc1cccc(OCc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)c1
InChIInChI=1S/C22H19N3O3S/c1-14-3-2-4-16(11-14)28-13-15-5-7-17(8-6-15)29-19-9-10-23-12-18(19)20-21(26)25-22(27)24-20/h2-12,20H,13H2,1H3,(H2,24,25,26,27)
InChIKeyNFYROKIREIZNNM-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.00
Rot. Bonds6

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

5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 146263009) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
PubChem CID146263009
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
SMILESCc1cccc(OCc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)c1
InChIInChI=1S/C22H19N3O3S/c1-14-3-2-4-16(11-14)28-13-15-5-7-17(8-6-15)29-19-9-10-23-12-18(19)20-21(26)25-22(27)24-20/h2-12,20H,13H2,1H3,(H2,24,25,26,27)
InChIKeyNFYROKIREIZNNM-UHFFFAOYSA-N
XLogP4.00
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[4-[4-[(3-methylphenoxy)methyl]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-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione
CID 146263079
5-[4-[2-fluoro-4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
CID 146262966
5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1-oxidopyridin-1-ium-3-yl]imidazolidine-2,4-dione
CID 176509444
5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione
CID 146263030
N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 110715491
5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one
CID 160828564
4-[2-(3-methylphenoxy)ethyl]pyridine
CID 64765282
4-[(3-methylphenoxy)methyl]aniline
CID 16789694
1-iodo-4-[(3-methylphenoxy)methyl]benzene
CID 65490135
2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene
CID 117221819
5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 132648826

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione (CID 146263009) is 5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione is Cc1cccc(OCc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)c1.
What is the InChIKey of 5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is NFYROKIREIZNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-14-3-2-4-16(11-14)28-13-15-5-7-17(8-6-15)29-19-9-10-23-12-18(19)20-21(26)25-22(27)24-20/h2-12,20H,13H2,1H3,(H2,24,25,26,27).
What are the key properties of 5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione?
5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 405.48 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 146263009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).