1-tert-butyl-3-(3-fluorophenyl)imidazolidine-2,4-dione

C13H15FN2O2 — CID 79256699

IUPAC1-tert-butyl-3-(3-fluorophenyl)imidazolidine-2,4-dione
SMILESCC(C)(C)N1CC(=O)N(c2cccc(F)c2)C1=O
InChIInChI=1S/C13H15FN2O2/c1-13(2,3)15-8-11(17)16(12(15)18)10-6-4-5-9(14)7-10/h4-7H,8H2,1-3H3
InChIKeyIYEMWBQLSJWIFG-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.39
Rot. Bonds1

About 1-tert-butyl-3-(3-fluorophenyl)imidazolidine-2,4-dione

1-tert-butyl-3-(3-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 79256699) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-tert-butyl-3-(3-fluorophenyl)imidazolidine-2,4-dione
PubChem CID79256699
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-tert-butyl-3-(3-fluorophenyl)imidazolidine-2,4-dione
SMILESCC(C)(C)N1CC(=O)N(c2cccc(F)c2)C1=O
InChIInChI=1S/C13H15FN2O2/c1-13(2,3)15-8-11(17)16(12(15)18)10-6-4-5-9(14)7-10/h4-7H,8H2,1-3H3
InChIKeyIYEMWBQLSJWIFG-UHFFFAOYSA-N
XLogP2.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.39
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 1-tert-butyl-3-(3-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 1-tert-butyl-3-(3-fluorophenyl)imidazolidine-2,4-dione (CID 79256699) is 1-tert-butyl-3-(3-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-tert-butyl-3-(3-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-tert-butyl-3-(3-fluorophenyl)imidazolidine-2,4-dione is CC(C)(C)N1CC(=O)N(c2cccc(F)c2)C1=O.
What is the InChIKey of 1-tert-butyl-3-(3-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is IYEMWBQLSJWIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-13(2,3)15-8-11(17)16(12(15)18)10-6-4-5-9(14)7-10/h4-7H,8H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(3-fluorophenyl)imidazolidine-2,4-dione?
1-tert-butyl-3-(3-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 250.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 79256699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).