5-[(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C23H20FN3O3 — CID 143510710

IUPAC5-[(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESC=c1cc(C2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc/c1=C/C=C\C
InChIInChI=1S/C23H20FN3O3/c1-3-4-5-15-6-8-17(10-14(15)2)23(21(29)25-22(30)26-23)13-27-12-16-7-9-18(24)11-19(16)20(27)28/h3-11H,2,12-13H2,1H3,(H2,25,26,29,30)/b4-3-,15-5-
InChIKeyWEPPAPMYTLYBGB-GVLLYKPYSA-N
MW405.43 g/mol
LogP1.28
Rot. Bonds4

About 5-[(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

5-[(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 143510710) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is 5-[(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID143510710
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name5-[(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESC=c1cc(C2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc/c1=C/C=C\C
InChIInChI=1S/C23H20FN3O3/c1-3-4-5-15-6-8-17(10-14(15)2)23(21(29)25-22(30)26-23)13-27-12-16-7-9-18(24)11-19(16)20(27)28/h3-11H,2,12-13H2,1H3,(H2,25,26,29,30)/b4-3-,15-5-
InChIKeyWEPPAPMYTLYBGB-GVLLYKPYSA-N
XLogP1.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

(5R)-5-[4-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 143510278
5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione
CID 11604430
(5R)-5-[4-(3-ethyl-2H-indazol-5-yl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 143510078
5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 67579699
(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 143510401
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 143512854
(5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 11553841
(5S)-5-(6-fluoro-1-benzofuran-2-yl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 143510855
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 46881522
5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione
CID 24889862
6-fluoro-2-[[4-(2-fluorophenyl)-2,5-dimethylideneimidazolidin-4-yl]methyl]-3H-isoindol-1-one
CID 143509997
(5R)-5-(4-fluorophenyl)-5-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione
CID 143512922

Frequently Asked Questions

What is the IUPAC name of 5-[(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 143510710) is 5-[(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is C=c1cc(C2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc/c1=C/C=C\C.
What is the InChIKey of 5-[(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is WEPPAPMYTLYBGB-GVLLYKPYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-3-4-5-15-6-8-17(10-14(15)2)23(21(29)25-22(30)26-23)13-27-12-16-7-9-18(24)11-19(16)20(27)28/h3-11H,2,12-13H2,1H3,(H2,25,26,29,30)/b4-3-,15-5-.
What are the key properties of 5-[(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
5-[(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 405.43 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143510710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).