(5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione

C17H16F3N3O3 — CID 156822915

IUPAC(5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
SMILESC=C[C@]1(CCC(=O)N2Cc3ccc(C(F)(F)F)cc3C2)NC(=O)NC1=O
InChIInChI=1S/C17H16F3N3O3/c1-2-16(14(25)21-15(26)22-16)6-5-13(24)23-8-10-3-4-12(17(18,19)20)7-11(10)9-23/h2-4,7H,1,5-6,8-9H2,(H2,21,22,25,26)/t16-/m1/s1
InChIKeyZFMDUORNBGWFEY-MRXNPFEDSA-N
MW367.33 g/mol
LogP2.09
Rot. Bonds4

About (5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione

(5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione (PubChem CID 156822915) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is (5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
PubChem CID156822915
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name(5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
SMILESC=C[C@]1(CCC(=O)N2Cc3ccc(C(F)(F)F)cc3C2)NC(=O)NC1=O
InChIInChI=1S/C17H16F3N3O3/c1-2-16(14(25)21-15(26)22-16)6-5-13(24)23-8-10-3-4-12(17(18,19)20)7-11(10)9-23/h2-4,7H,1,5-6,8-9H2,(H2,21,22,25,26)/t16-/m1/s1
InChIKeyZFMDUORNBGWFEY-MRXNPFEDSA-N
XLogP2.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclopropylidenemethyl)-5-[3-oxo-3-[5-(trifluoromethoxy)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
CID 156823046
N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
CID 162696800
(5S)-5-cyclopropyl-5-[3-oxo-3-[7-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propyl]imidazolidine-2,4-dione
CID 156823176
(5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
CID 156822921
5-methoxy-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pentane-1,4-dione
CID 156823113
N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-N-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]formamide
CID 162514231
(5S)-5-cyclopropyl-5-[3-oxo-3-[7-(trifluoromethyl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]propyl]imidazolidine-2,4-dione
CID 166935727
5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione
CID 156823098
5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 156823207
5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677250
(4S)-4-cyclopropyl-4-[3-hydroxy-2-methyl-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-2-one
CID 156823135
1-[2-oxo-2-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]ethyl]-3-phenylpiperidine-2-carbaldehyde
CID 174629960

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione (CID 156822915) is (5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione is C=C[C@]1(CCC(=O)N2Cc3ccc(C(F)(F)F)cc3C2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?
The InChIKey is ZFMDUORNBGWFEY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-2-16(14(25)21-15(26)22-16)6-5-13(24)23-8-10-3-4-12(17(18,19)20)7-11(10)9-23/h2-4,7H,1,5-6,8-9H2,(H2,21,22,25,26)/t16-/m1/s1.
What are the key properties of (5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?
(5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione has a molecular weight of 367.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 156822915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).