5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione

C15H19FN2O2 — CID 105375384

IUPAC5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCCC1(CC)C(=O)NC(=O)N1Cc1cc(F)ccc1C
InChIInChI=1S/C15H19FN2O2/c1-4-15(5-2)13(19)17-14(20)18(15)9-11-8-12(16)7-6-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,17,19,20)
InChIKeyBNCNEKZFZYEJCZ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.74
Rot. Bonds4

About 5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione

5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 105375384) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID105375384
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCCC1(CC)C(=O)NC(=O)N1Cc1cc(F)ccc1C
InChIInChI=1S/C15H19FN2O2/c1-4-15(5-2)13(19)17-14(20)18(15)9-11-8-12(16)7-6-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,17,19,20)
InChIKeyBNCNEKZFZYEJCZ-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(5,5-diethyl-2,4-dioxoimidazolidin-1-yl)methyl]-4-fluorobenzonitrile
CID 107909174
6,6-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione
CID 114349670
1-[(3,4-difluorophenyl)methyl]-5,5-diethylimidazolidine-2,4-dione
CID 82923931
1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one
CID 105375362
3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 105375790
3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 105375827
3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 105375307
1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one
CID 105375364
5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione
CID 102879290
1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione
CID 105375774
1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine
CID 115970389
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione (CID 105375384) is 5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione is CCC1(CC)C(=O)NC(=O)N1Cc1cc(F)ccc1C.
What is the InChIKey of 5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is BNCNEKZFZYEJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-4-15(5-2)13(19)17-14(20)18(15)9-11-8-12(16)7-6-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,17,19,20).
What are the key properties of 5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione?
5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 278.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 105375384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).