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

C14H13F3N2O2 — CID 126251684

IUPAC(5E)-3-propyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C14H13F3N2O2/c1-2-6-19-12(20)11(18-13(19)21)8-9-4-3-5-10(7-9)14(15,16)17/h3-5,7-8H,2,6H2,1H3,(H,18,21)/b11-8+
InChIKeyUULFPONMYTZADD-DHZHZOJOSA-N
MW298.26 g/mol
LogP3.01
Rot. Bonds3

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

(5E)-3-propyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126251684) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is (5E)-3-propyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-propyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID126251684
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name(5E)-3-propyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C14H13F3N2O2/c1-2-6-19-12(20)11(18-13(19)21)8-9-4-3-5-10(7-9)14(15,16)17/h3-5,7-8H,2,6H2,1H3,(H,18,21)/b11-8+
InChIKeyUULFPONMYTZADD-DHZHZOJOSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
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

(5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
CID 126132686
(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)-3-propyl-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
CID 126228553
(5E)-3-ethyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]imidazolidine-2,4-dione
CID 126231990
2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16632884
(5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126255528
4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18873952
2-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 167885181
(5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126241559
(5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126236781
(5E)-5-[(3,5-diiodo-4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126252175

Frequently Asked Questions

What is the IUPAC name of (5E)-3-propyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-propyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione (CID 126251684) is (5E)-3-propyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-propyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-propyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione is CCCN1C(=O)N/C(=C/c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of (5E)-3-propyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is UULFPONMYTZADD-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-2-6-19-12(20)11(18-13(19)21)8-9-4-3-5-10(7-9)14(15,16)17/h3-5,7-8H,2,6H2,1H3,(H,18,21)/b11-8+.
What are the key properties of (5E)-3-propyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
(5E)-3-propyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 298.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-propyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126251684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).