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

C14H15F3N2O4 — CID 3236822

IUPAC5-ethoxy-3-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCCOC1(C(F)(F)F)NC(=O)N(Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C14H15F3N2O4/c1-3-23-13(14(15,16)17)11(20)19(12(21)18-13)8-9-4-6-10(22-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,18,21)
InChIKeyNOKZOWIHXSBURB-UHFFFAOYSA-N
MW332.28 g/mol
LogP2.04
Rot. Bonds5

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

5-ethoxy-3-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 3236822) has the molecular formula C14H15F3N2O4 and a molecular weight of 332.28 g/mol. Its IUPAC name is 5-ethoxy-3-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethoxy-3-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID3236822
Molecular FormulaC14H15F3N2O4
Molecular Weight332.28 g/mol
Exact Mass332.10
IUPAC Name5-ethoxy-3-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCCOC1(C(F)(F)F)NC(=O)N(Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C14H15F3N2O4/c1-3-23-13(14(15,16)17)11(20)19(12(21)18-13)8-9-4-6-10(22-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,18,21)
InChIKeyNOKZOWIHXSBURB-UHFFFAOYSA-N
XLogP2.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
5-ethyl-5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 16577306
3-[(4-methoxyphenyl)methyl]-4-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one
CID 17344461
3-[(4-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 68626194
3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3815407
N-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide
CID 41129843
N-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide
CID 41129844
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
N-[(4S)-1-[(3,5-dimethoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 40964707
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7595658
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7595657
4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2121699

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-ethoxy-3-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 3236822) is 5-ethoxy-3-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethoxy-3-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-ethoxy-3-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione is CCOC1(C(F)(F)F)NC(=O)N(Cc2ccc(OC)cc2)C1=O.
What is the InChIKey of 5-ethoxy-3-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is NOKZOWIHXSBURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O4/c1-3-23-13(14(15,16)17)11(20)19(12(21)18-13)8-9-4-6-10(22-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,18,21).
What are the key properties of 5-ethoxy-3-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
5-ethoxy-3-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 332.28 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 3236822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).