(5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione

C14H11F3N2O2 — CID 126132686

IUPAC(5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C14H11F3N2O2/c1-2-6-19-12(20)11(18-13(19)21)8-9-4-3-5-10(7-9)14(15,16)17/h2-5,7-8H,1,6H2,(H,18,21)/b11-8+
InChIKeyBRONZDJUGMCUJK-DHZHZOJOSA-N
MW296.25 g/mol
LogP2.78
Rot. Bonds3

About (5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione

(5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126132686) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is (5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID126132686
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name(5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C14H11F3N2O2/c1-2-6-19-12(20)11(18-13(19)21)8-9-4-3-5-10(7-9)14(15,16)17/h2-5,7-8H,1,6H2,(H,18,21)/b11-8+
InChIKeyBRONZDJUGMCUJK-DHZHZOJOSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-propyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
CID 126251684
(5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
CID 1277904
(5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
CID 2187981
(5E)-5-[(3-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126145833
4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18873952
(5E)-5-[(4-propan-2-ylphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 900405
5-[(3-chloro-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 4654737
(5E)-5-[(3-iodo-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126137128
2-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 167885181
5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 5025593
2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16632884
(5E)-5-[[3-bromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126131782

Frequently Asked Questions

What is the IUPAC name of (5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione (CID 126132686) is (5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione is C=CCN1C(=O)N/C(=C/c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of (5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is BRONZDJUGMCUJK-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-2-6-19-12(20)11(18-13(19)21)8-9-4-3-5-10(7-9)14(15,16)17/h2-5,7-8H,1,6H2,(H,18,21)/b11-8+.
What are the key properties of (5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
(5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 296.25 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126132686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).