5,5-dimethyl-3-(1-methyliminobut-2-en-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione

C18H20F3N3O2 — CID 123917607

IUPAC5,5-dimethyl-3-(1-methyliminobut-2-en-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCC=C(/C=N/C)N1C(=O)N(Cc2cccc(C(F)(F)F)c2)C(C)(C)C1=O
InChIInChI=1S/C18H20F3N3O2/c1-5-14(10-22-4)24-15(25)17(2,3)23(16(24)26)11-12-7-6-8-13(9-12)18(19,20)21/h5-10H,11H2,1-4H3/b14-5?,22-10+
InChIKeyATDQZOUEXSQBJU-SXUOQIJCSA-N
MW367.37 g/mol
LogP3.85
Rot. Bonds4

About 5,5-dimethyl-3-(1-methyliminobut-2-en-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione

5,5-dimethyl-3-(1-methyliminobut-2-en-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 123917607) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 5,5-dimethyl-3-(1-methyliminobut-2-en-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(1-methyliminobut-2-en-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID123917607
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name5,5-dimethyl-3-(1-methyliminobut-2-en-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCC=C(/C=N/C)N1C(=O)N(Cc2cccc(C(F)(F)F)c2)C(C)(C)C1=O
InChIInChI=1S/C18H20F3N3O2/c1-5-14(10-22-4)24-15(25)17(2,3)23(16(24)26)11-12-7-6-8-13(9-12)18(19,20)21/h5-10H,11H2,1-4H3/b14-5?,22-10+
InChIKeyATDQZOUEXSQBJU-SXUOQIJCSA-N
XLogP3.85
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one
CID 174649113
2-[4-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-yl]acetic acid
CID 115064644
1-[5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]-1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4678976
6-hydroxy-4,4,6-trimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2-thione
CID 42650045
4-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 63125005
6-(hydroxymethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115009877
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 63147825
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 103728549
7-methyl-1,1-dioxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1,2-benzothiazol-3-one
CID 166370388
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
CID 64881381
(Z)-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylimino]prop-1-en-1-amine
CID 156880609
N',N'-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-4-yl]but-2-enehydrazide
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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(1-methyliminobut-2-en-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(1-methyliminobut-2-en-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione (CID 123917607) is 5,5-dimethyl-3-(1-methyliminobut-2-en-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(1-methyliminobut-2-en-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(1-methyliminobut-2-en-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione is CC=C(/C=N/C)N1C(=O)N(Cc2cccc(C(F)(F)F)c2)C(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(1-methyliminobut-2-en-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is ATDQZOUEXSQBJU-SXUOQIJCSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-5-14(10-22-4)24-15(25)17(2,3)23(16(24)26)11-12-7-6-8-13(9-12)18(19,20)21/h5-10H,11H2,1-4H3/b14-5?,22-10+.
What are the key properties of 5,5-dimethyl-3-(1-methyliminobut-2-en-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-(1-methyliminobut-2-en-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 367.37 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(1-methyliminobut-2-en-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 123917607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).