5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

C23H26FN3O4S — CID 23133464

IUPAC5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCc2ccccc2)(CS(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)N1
InChIInChI=1S/C23H26FN3O4S/c24-20-8-6-18(7-9-20)19-11-14-27(15-12-19)32(30,31)16-23(21(28)25-22(29)26-23)13-10-17-4-2-1-3-5-17/h1-9,19H,10-16H2,(H2,25,26,28,29)
InChIKeySARAXYDYCIIOEN-UHFFFAOYSA-N
MW459.54 g/mol
LogP2.55
Rot. Bonds7

About 5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 23133464) has the molecular formula C23H26FN3O4S and a molecular weight of 459.54 g/mol. Its IUPAC name is 5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID23133464
Molecular FormulaC23H26FN3O4S
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC Name5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCc2ccccc2)(CS(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)N1
InChIInChI=1S/C23H26FN3O4S/c24-20-8-6-18(7-9-20)19-11-14-27(15-12-19)32(30,31)16-23(21(28)25-22(29)26-23)13-10-17-4-2-1-3-5-17/h1-9,19H,10-16H2,(H2,25,26,28,29)
InChIKeySARAXYDYCIIOEN-UHFFFAOYSA-N
XLogP2.55
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 23133464) is 5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is O=C1NC(=O)C(CCc2ccccc2)(CS(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)N1.
What is the InChIKey of 5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is SARAXYDYCIIOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4S/c24-20-8-6-18(7-9-20)19-11-14-27(15-12-19)32(30,31)16-23(21(28)25-22(29)26-23)13-10-17-4-2-1-3-5-17/h1-9,19H,10-16H2,(H2,25,26,28,29).
What are the key properties of 5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 459.54 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 23133464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).