5-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione

C19H16F4N2O3 — CID 2985703

IUPAC5-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCOc1ccc(CCN2C(=O)NC(c3ccc(F)cc3)(C(F)(F)F)C2=O)cc1
InChIInChI=1S/C19H16F4N2O3/c1-28-15-8-2-12(3-9-15)10-11-25-16(26)18(19(21,22)23,24-17(25)27)13-4-6-14(20)7-5-13/h2-9H,10-11H2,1H3,(H,24,27)
InChIKeyMYWGFWUPIXHPNC-UHFFFAOYSA-N
MW396.34 g/mol
LogP3.39
Rot. Bonds5

About 5-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione

5-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 2985703) has the molecular formula C19H16F4N2O3 and a molecular weight of 396.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID2985703
Molecular FormulaC19H16F4N2O3
Molecular Weight396.34 g/mol
Exact Mass396.11
IUPAC Name5-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCOc1ccc(CCN2C(=O)NC(c3ccc(F)cc3)(C(F)(F)F)C2=O)cc1
InChIInChI=1S/C19H16F4N2O3/c1-28-15-8-2-12(3-9-15)10-11-25-16(26)18(19(21,22)23,24-17(25)27)13-4-6-14(20)7-5-13/h2-9H,10-11H2,1H3,(H,24,27)
InChIKeyMYWGFWUPIXHPNC-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 2985703) is 5-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione is COc1ccc(CCN2C(=O)NC(c3ccc(F)cc3)(C(F)(F)F)C2=O)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is MYWGFWUPIXHPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O3/c1-28-15-8-2-12(3-9-15)10-11-25-16(26)18(19(21,22)23,24-17(25)27)13-4-6-14(20)7-5-13/h2-9H,10-11H2,1H3,(H,24,27).
What are the key properties of 5-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
5-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 396.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2985703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).