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

C19H18F3N3O3 — CID 167839820

IUPAC3-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCOc1ncc(CN2C(=O)NC(C)(c3cccc(C(F)(F)F)c3)C2=O)cc1C
InChIInChI=1S/C19H18F3N3O3/c1-11-7-12(9-23-15(11)28-3)10-25-16(26)18(2,24-17(25)27)13-5-4-6-14(8-13)19(20,21)22/h4-9H,10H2,1-3H3,(H,24,27)
InChIKeyALKTYKXSAQMCKH-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.38
Rot. Bonds4

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

3-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 167839820) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 3-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID167839820
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name3-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCOc1ncc(CN2C(=O)NC(C)(c3cccc(C(F)(F)F)c3)C2=O)cc1C
InChIInChI=1S/C19H18F3N3O3/c1-11-7-12(9-23-15(11)28-3)10-25-16(26)18(2,24-17(25)27)13-5-4-6-14(8-13)19(20,21)22/h4-9H,10H2,1-3H3,(H,24,27)
InChIKeyALKTYKXSAQMCKH-UHFFFAOYSA-N
XLogP3.38
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.38
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-(2-hydroxy-2-methylpropyl)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 110932550
5-(3,4-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 16570909
(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 51951367
N-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 46484791
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 46484776
3-[(6-ethoxy-3-pyridinyl)methyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 166371620
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 46484653
(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 92786687
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 27687466
5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 46815559
N-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 51951377
(5R)-3-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 41096881

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 167839820) is 3-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is COc1ncc(CN2C(=O)NC(C)(c3cccc(C(F)(F)F)c3)C2=O)cc1C.
What is the InChIKey of 3-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is ALKTYKXSAQMCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-11-7-12(9-23-15(11)28-3)10-25-16(26)18(2,24-17(25)27)13-5-4-6-14(8-13)19(20,21)22/h4-9H,10H2,1-3H3,(H,24,27).
What are the key properties of 3-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
3-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 393.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 167839820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).