3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C12H9F3N2O2 — CID 10400913

IUPAC3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESC=C1C(=O)N(C)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2O2/c1-7-10(18)16(2)11(19)17(7)9-5-3-4-8(6-9)12(13,14)15/h3-6H,1H2,2H3
InChIKeyUREOBRGTZOBXGF-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.62
Rot. Bonds1

About 3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 10400913) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID10400913
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESC=C1C(=O)N(C)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2O2/c1-7-10(18)16(2)11(19)17(7)9-5-3-4-8(6-9)12(13,14)15/h3-6H,1H2,2H3
InChIKeyUREOBRGTZOBXGF-UHFFFAOYSA-N
XLogP2.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-(1,2,2,2-tetrachloroethylimino)-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 57049707
3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one
CID 14662954
2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone
CID 102195126
3,4,4-trimethyl-5-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 57067232
3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione
CID 71086534
3-methyl-5-[2,2,2-trichloro-1-[2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]anilino]ethyl]imino-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 56982546
3-methyl-5-[2,2,2-trichloro-1-(3-fluoro-N-(3-fluorophenyl)anilino)ethyl]imino-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 57213304
3-methyl-5-[2,2,2-trichloro-1-[(1-ethylthiophen-1-yl)amino]ethyl]imino-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 173439939
(3aR,7aR)-5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 695187
1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 79286115
6-bromo-1,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrazin-3-one
CID 141194608
3-methyl-5-[2,2,2-trichloro-1-(2-methylsulfonyl-N-(2-methylsulfonylphenyl)anilino)ethyl]imino-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 57228829

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 10400913) is 3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is C=C1C(=O)N(C)C(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is UREOBRGTZOBXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-7-10(18)16(2)11(19)17(7)9-5-3-4-8(6-9)12(13,14)15/h3-6H,1H2,2H3.
What are the key properties of 3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 270.21 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 10400913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).