3-[(6-ethoxy-3-pyridinyl)methyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C19H18F3N3O3 — CID 166371620

IUPAC3-[(6-ethoxy-3-pyridinyl)methyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCCOc1ccc(CN2C(=O)NC(C)(c3ccc(C(F)(F)F)cc3)C2=O)cn1
InChIInChI=1S/C19H18F3N3O3/c1-3-28-15-9-4-12(10-23-15)11-25-16(26)18(2,24-17(25)27)13-5-7-14(8-6-13)19(20,21)22/h4-10H,3,11H2,1-2H3,(H,24,27)
InChIKeyAKQGIFWFFIRWGB-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.47
Rot. Bonds5

About 3-[(6-ethoxy-3-pyridinyl)methyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

3-[(6-ethoxy-3-pyridinyl)methyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 166371620) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 3-[(6-ethoxy-3-pyridinyl)methyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(6-ethoxy-3-pyridinyl)methyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID166371620
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name3-[(6-ethoxy-3-pyridinyl)methyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCCOc1ccc(CN2C(=O)NC(C)(c3ccc(C(F)(F)F)cc3)C2=O)cn1
InChIInChI=1S/C19H18F3N3O3/c1-3-28-15-9-4-12(10-23-15)11-25-16(26)18(2,24-17(25)27)13-5-7-14(8-6-13)19(20,21)22/h4-10H,3,11H2,1-2H3,(H,24,27)
InChIKeyAKQGIFWFFIRWGB-UHFFFAOYSA-N
XLogP3.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.47
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

(5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 52884048
3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4084225
5-ethyl-5-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 46644860
5-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione
CID 75517291
5-methyl-5-(4-nitrophenyl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione
CID 60524357
(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 26685769
(5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595987
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330580
3-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 167839820
(5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 7812605
5-(3,4-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 16570909
(5R)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2092267

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-3-pyridinyl)methyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(6-ethoxy-3-pyridinyl)methyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 166371620) is 3-[(6-ethoxy-3-pyridinyl)methyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(6-ethoxy-3-pyridinyl)methyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(6-ethoxy-3-pyridinyl)methyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is CCOc1ccc(CN2C(=O)NC(C)(c3ccc(C(F)(F)F)cc3)C2=O)cn1.
What is the InChIKey of 3-[(6-ethoxy-3-pyridinyl)methyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is AKQGIFWFFIRWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-3-28-15-9-4-12(10-23-15)11-25-16(26)18(2,24-17(25)27)13-5-7-14(8-6-13)19(20,21)22/h4-10H,3,11H2,1-2H3,(H,24,27).
What are the key properties of 3-[(6-ethoxy-3-pyridinyl)methyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
3-[(6-ethoxy-3-pyridinyl)methyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 393.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-3-pyridinyl)methyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 166371620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).