6-fluoro-2-[[4-(2-fluorophenyl)-2,5-dimethylideneimidazolidin-4-yl]methyl]-3H-isoindol-1-one

C20H17F2N3O — CID 143509997

IUPAC6-fluoro-2-[[4-(2-fluorophenyl)-2,5-dimethylideneimidazolidin-4-yl]methyl]-3H-isoindol-1-one
SMILESC=C1NC(=C)C(CN2Cc3ccc(F)cc3C2=O)(c2ccccc2F)N1
InChIInChI=1S/C20H17F2N3O/c1-12-20(24-13(2)23-12,17-5-3-4-6-18(17)22)11-25-10-14-7-8-15(21)9-16(14)19(25)26/h3-9,23-24H,1-2,10-11H2
InChIKeyJUUPCMIJYSTTDT-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.99
Rot. Bonds3

About 6-fluoro-2-[[4-(2-fluorophenyl)-2,5-dimethylideneimidazolidin-4-yl]methyl]-3H-isoindol-1-one

6-fluoro-2-[[4-(2-fluorophenyl)-2,5-dimethylideneimidazolidin-4-yl]methyl]-3H-isoindol-1-one (PubChem CID 143509997) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 6-fluoro-2-[[4-(2-fluorophenyl)-2,5-dimethylideneimidazolidin-4-yl]methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name6-fluoro-2-[[4-(2-fluorophenyl)-2,5-dimethylideneimidazolidin-4-yl]methyl]-3H-isoindol-1-one
PubChem CID143509997
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name6-fluoro-2-[[4-(2-fluorophenyl)-2,5-dimethylideneimidazolidin-4-yl]methyl]-3H-isoindol-1-one
SMILESC=C1NC(=C)C(CN2Cc3ccc(F)cc3C2=O)(c2ccccc2F)N1
InChIInChI=1S/C20H17F2N3O/c1-12-20(24-13(2)23-12,17-5-3-4-6-18(17)22)11-25-10-14-7-8-15(21)9-16(14)19(25)26/h3-9,23-24H,1-2,10-11H2
InChIKeyJUUPCMIJYSTTDT-UHFFFAOYSA-N
XLogP2.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-2-[[4-(2-fluorophenyl)-2,5-dimethylideneimidazolidin-4-yl]methyl]-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione
CID 24889862
(5S)-5-[2-(2-fluoro-4-iodophenyl)ethynyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 159064002
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
(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
(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-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
CID 160725262
(5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 11553841
(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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 46881522
(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 143510401
5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenylmethoxyphenyl)imidazolidine-2,4-dione
CID 158658971

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[[4-(2-fluorophenyl)-2,5-dimethylideneimidazolidin-4-yl]methyl]-3H-isoindol-1-one?
The IUPAC name of 6-fluoro-2-[[4-(2-fluorophenyl)-2,5-dimethylideneimidazolidin-4-yl]methyl]-3H-isoindol-1-one (CID 143509997) is 6-fluoro-2-[[4-(2-fluorophenyl)-2,5-dimethylideneimidazolidin-4-yl]methyl]-3H-isoindol-1-one.
What is the SMILES notation for 6-fluoro-2-[[4-(2-fluorophenyl)-2,5-dimethylideneimidazolidin-4-yl]methyl]-3H-isoindol-1-one?
The canonical SMILES for 6-fluoro-2-[[4-(2-fluorophenyl)-2,5-dimethylideneimidazolidin-4-yl]methyl]-3H-isoindol-1-one is C=C1NC(=C)C(CN2Cc3ccc(F)cc3C2=O)(c2ccccc2F)N1.
What is the InChIKey of 6-fluoro-2-[[4-(2-fluorophenyl)-2,5-dimethylideneimidazolidin-4-yl]methyl]-3H-isoindol-1-one?
The InChIKey is JUUPCMIJYSTTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-12-20(24-13(2)23-12,17-5-3-4-6-18(17)22)11-25-10-14-7-8-15(21)9-16(14)19(25)26/h3-9,23-24H,1-2,10-11H2.
What are the key properties of 6-fluoro-2-[[4-(2-fluorophenyl)-2,5-dimethylideneimidazolidin-4-yl]methyl]-3H-isoindol-1-one?
6-fluoro-2-[[4-(2-fluorophenyl)-2,5-dimethylideneimidazolidin-4-yl]methyl]-3H-isoindol-1-one has a molecular weight of 353.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[[4-(2-fluorophenyl)-2,5-dimethylideneimidazolidin-4-yl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 143509997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).