3-(4-fluorophenyl)-1,5,5-trimethylimidazolidine-2,4-dione

C12H13FN2O2 — CID 62817631

IUPAC3-(4-fluorophenyl)-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(c2ccc(F)cc2)C(=O)C1(C)C
InChIInChI=1S/C12H13FN2O2/c1-12(2)10(16)15(11(17)14(12)3)9-6-4-8(13)5-7-9/h4-7H,1-3H3
InChIKeyGHRPNYVANWFJEZ-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.00
Rot. Bonds1

About 3-(4-fluorophenyl)-1,5,5-trimethylimidazolidine-2,4-dione

3-(4-fluorophenyl)-1,5,5-trimethylimidazolidine-2,4-dione (PubChem CID 62817631) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1,5,5-trimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1,5,5-trimethylimidazolidine-2,4-dione
PubChem CID62817631
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name3-(4-fluorophenyl)-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(c2ccc(F)cc2)C(=O)C1(C)C
InChIInChI=1S/C12H13FN2O2/c1-12(2)10(16)15(11(17)14(12)3)9-6-4-8(13)5-7-9/h4-7H,1-3H3
InChIKeyGHRPNYVANWFJEZ-UHFFFAOYSA-N
XLogP2.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-fluorophenyl)-1,5,5-trimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(4-fluorophenyl)-1,5,5-trimethylimidazolidine-2,4-dione (CID 62817631) is 3-(4-fluorophenyl)-1,5,5-trimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1,5,5-trimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1,5,5-trimethylimidazolidine-2,4-dione is CN1C(=O)N(c2ccc(F)cc2)C(=O)C1(C)C.
What is the InChIKey of 3-(4-fluorophenyl)-1,5,5-trimethylimidazolidine-2,4-dione?
The InChIKey is GHRPNYVANWFJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-12(2)10(16)15(11(17)14(12)3)9-6-4-8(13)5-7-9/h4-7H,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-1,5,5-trimethylimidazolidine-2,4-dione?
3-(4-fluorophenyl)-1,5,5-trimethylimidazolidine-2,4-dione has a molecular weight of 236.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1,5,5-trimethylimidazolidine-2,4-dione is sourced from PubChem (CID 62817631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).