5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione

C17H15FN2O3 — CID 16660931

IUPAC5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(N2C(=O)NC(Cc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C17H15FN2O3/c1-23-14-8-6-13(7-9-14)20-16(21)15(19-17(20)22)10-11-2-4-12(18)5-3-11/h2-9,15H,10H2,1H3,(H,19,22)
InChIKeySJAFSXSNTBKERN-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.50
Rot. Bonds4

About 5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione

5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione (PubChem CID 16660931) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione
PubChem CID16660931
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(N2C(=O)NC(Cc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C17H15FN2O3/c1-23-14-8-6-13(7-9-14)20-16(21)15(19-17(20)22)10-11-2-4-12(18)5-3-11/h2-9,15H,10H2,1H3,(H,19,22)
InChIKeySJAFSXSNTBKERN-UHFFFAOYSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-5-(methoxymethyl)imidazolidine-2,4-dione
CID 81082365
3-[1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 42962374
[4-[[1-(4-carbamoylphenyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] acetate
CID 70431417
3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 16661082
(5R)-5-benzyl-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 11674231
1-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7584153
(3aR,6aS)-3-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione
CID 7245689
1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 17118443
(5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one
CID 59883960
(5S)-5-benzyl-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 51565311
N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide
CID 4077280
(3S,8S,9aR)-8-hydroxy-3-[(4-methoxyphenyl)methyl]-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
CID 139825979

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione (CID 16660931) is 5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione is COc1ccc(N2C(=O)NC(Cc3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is SJAFSXSNTBKERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-23-14-8-6-13(7-9-14)20-16(21)15(19-17(20)22)10-11-2-4-12(18)5-3-11/h2-9,15H,10H2,1H3,(H,19,22).
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione?
5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 314.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 16660931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).