5-(cyclopropylidenemethyl)-5-[3-oxo-3-[5-(trifluoromethoxy)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione

C19H18F3N3O4 — CID 156823046

IUPAC5-(cyclopropylidenemethyl)-5-[3-oxo-3-[5-(trifluoromethoxy)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C=C2CC2)(CCC(=O)N2Cc3ccc(OC(F)(F)F)cc3C2)N1
InChIInChI=1S/C19H18F3N3O4/c20-19(21,22)29-14-4-3-12-9-25(10-13(12)7-14)15(26)5-6-18(8-11-1-2-11)16(27)23-17(28)24-18/h3-4,7-8H,1-2,5-6,9-10H2,(H2,23,24,27,28)
InChIKeyZQLNDDPDXYAJOY-UHFFFAOYSA-N
MW409.36 g/mol
LogP2.51
Rot. Bonds5

About 5-(cyclopropylidenemethyl)-5-[3-oxo-3-[5-(trifluoromethoxy)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione

5-(cyclopropylidenemethyl)-5-[3-oxo-3-[5-(trifluoromethoxy)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione (PubChem CID 156823046) has the molecular formula C19H18F3N3O4 and a molecular weight of 409.36 g/mol. Its IUPAC name is 5-(cyclopropylidenemethyl)-5-[3-oxo-3-[5-(trifluoromethoxy)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(cyclopropylidenemethyl)-5-[3-oxo-3-[5-(trifluoromethoxy)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
PubChem CID156823046
Molecular FormulaC19H18F3N3O4
Molecular Weight409.36 g/mol
Exact Mass409.12
IUPAC Name5-(cyclopropylidenemethyl)-5-[3-oxo-3-[5-(trifluoromethoxy)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C=C2CC2)(CCC(=O)N2Cc3ccc(OC(F)(F)F)cc3C2)N1
InChIInChI=1S/C19H18F3N3O4/c20-19(21,22)29-14-4-3-12-9-25(10-13(12)7-14)15(26)5-6-18(8-11-1-2-11)16(27)23-17(28)24-18/h3-4,7-8H,1-2,5-6,9-10H2,(H2,23,24,27,28)
InChIKeyZQLNDDPDXYAJOY-UHFFFAOYSA-N
XLogP2.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
CID 156822915
(5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
CID 156822921
(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
N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
CID 162696800
(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(trifluoromethoxy)phenyl]ethynyl]imidazolidine-2,4-dione
CID 162553394
5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 156823207
2,2,2-trifluoro-1-(5-methoxy-1,3-dihydroisoindol-2-yl)ethanone
CID 170005081
2-oxo-2-[7-(trifluoromethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide
CID 25118465
5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione
CID 156823098
4-[4-(trifluoromethoxy)benzoyl]piperazine-2,6-dione
CID 66084388
5-(trifluoromethoxy)-2,3-dihydroinden-1-one
CID 22119026
(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

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylidenemethyl)-5-[3-oxo-3-[5-(trifluoromethoxy)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(cyclopropylidenemethyl)-5-[3-oxo-3-[5-(trifluoromethoxy)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione (CID 156823046) is 5-(cyclopropylidenemethyl)-5-[3-oxo-3-[5-(trifluoromethoxy)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(cyclopropylidenemethyl)-5-[3-oxo-3-[5-(trifluoromethoxy)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(cyclopropylidenemethyl)-5-[3-oxo-3-[5-(trifluoromethoxy)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione is O=C1NC(=O)C(C=C2CC2)(CCC(=O)N2Cc3ccc(OC(F)(F)F)cc3C2)N1.
What is the InChIKey of 5-(cyclopropylidenemethyl)-5-[3-oxo-3-[5-(trifluoromethoxy)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?
The InChIKey is ZQLNDDPDXYAJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4/c20-19(21,22)29-14-4-3-12-9-25(10-13(12)7-14)15(26)5-6-18(8-11-1-2-11)16(27)23-17(28)24-18/h3-4,7-8H,1-2,5-6,9-10H2,(H2,23,24,27,28).
What are the key properties of 5-(cyclopropylidenemethyl)-5-[3-oxo-3-[5-(trifluoromethoxy)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?
5-(cyclopropylidenemethyl)-5-[3-oxo-3-[5-(trifluoromethoxy)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione has a molecular weight of 409.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylidenemethyl)-5-[3-oxo-3-[5-(trifluoromethoxy)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 156823046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).