1-[1-(4-fluorophenyl)propan-2-yl]imidazolidine-2,4,5-trione

C12H11FN2O3 — CID 62991140

IUPAC1-[1-(4-fluorophenyl)propan-2-yl]imidazolidine-2,4,5-trione
SMILESCC(Cc1ccc(F)cc1)N1C(=O)NC(=O)C1=O
InChIInChI=1S/C12H11FN2O3/c1-7(6-8-2-4-9(13)5-3-8)15-11(17)10(16)14-12(15)18/h2-5,7H,6H2,1H3,(H,14,16,18)
InChIKeyMFURWJITFQATKZ-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.84
Rot. Bonds3

About 1-[1-(4-fluorophenyl)propan-2-yl]imidazolidine-2,4,5-trione

1-[1-(4-fluorophenyl)propan-2-yl]imidazolidine-2,4,5-trione (PubChem CID 62991140) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)propan-2-yl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)propan-2-yl]imidazolidine-2,4,5-trione
PubChem CID62991140
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name1-[1-(4-fluorophenyl)propan-2-yl]imidazolidine-2,4,5-trione
SMILESCC(Cc1ccc(F)cc1)N1C(=O)NC(=O)C1=O
InChIInChI=1S/C12H11FN2O3/c1-7(6-8-2-4-9(13)5-3-8)15-11(17)10(16)14-12(15)18/h2-5,7H,6H2,1H3,(H,14,16,18)
InChIKeyMFURWJITFQATKZ-UHFFFAOYSA-N
XLogP0.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)propan-2-yl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[1-(4-fluorophenyl)propan-2-yl]imidazolidine-2,4,5-trione (CID 62991140) is 1-[1-(4-fluorophenyl)propan-2-yl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[1-(4-fluorophenyl)propan-2-yl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[1-(4-fluorophenyl)propan-2-yl]imidazolidine-2,4,5-trione is CC(Cc1ccc(F)cc1)N1C(=O)NC(=O)C1=O.
What is the InChIKey of 1-[1-(4-fluorophenyl)propan-2-yl]imidazolidine-2,4,5-trione?
The InChIKey is MFURWJITFQATKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-7(6-8-2-4-9(13)5-3-8)15-11(17)10(16)14-12(15)18/h2-5,7H,6H2,1H3,(H,14,16,18).
What are the key properties of 1-[1-(4-fluorophenyl)propan-2-yl]imidazolidine-2,4,5-trione?
1-[1-(4-fluorophenyl)propan-2-yl]imidazolidine-2,4,5-trione has a molecular weight of 250.23 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)propan-2-yl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 62991140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).