3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

C20H19FN2O3 — CID 17407367

IUPAC3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCc1ccc(C(=O)CN2C(=O)C(C)N(c3ccc(F)cc3)C2=O)cc1C
InChIInChI=1S/C20H19FN2O3/c1-12-4-5-15(10-13(12)2)18(24)11-22-19(25)14(3)23(20(22)26)17-8-6-16(21)7-9-17/h4-10,14H,11H2,1-3H3
InChIKeyWNPXWHRKJGQNOX-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.48
Rot. Bonds4

About 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 17407367) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID17407367
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCc1ccc(C(=O)CN2C(=O)C(C)N(c3ccc(F)cc3)C2=O)cc1C
InChIInChI=1S/C20H19FN2O3/c1-12-4-5-15(10-13(12)2)18(24)11-22-19(25)14(3)23(20(22)26)17-8-6-16(21)7-9-17/h4-10,14H,11H2,1-3H3
InChIKeyWNPXWHRKJGQNOX-UHFFFAOYSA-N
XLogP3.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
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 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 17407367) is 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is Cc1ccc(C(=O)CN2C(=O)C(C)N(c3ccc(F)cc3)C2=O)cc1C.
What is the InChIKey of 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is WNPXWHRKJGQNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-12-4-5-15(10-13(12)2)18(24)11-22-19(25)14(3)23(20(22)26)17-8-6-16(21)7-9-17/h4-10,14H,11H2,1-3H3.
What are the key properties of 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 354.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 17407367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).