(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione

C17H14FN3O5 — CID 46199193

IUPAC(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3ccco3)NC(=O)NC1=O)C2
InChIInChI=1S/C17H14FN3O5/c1-25-10-5-4-9-7-21(14(22)12(9)13(10)18)8-17(11-3-2-6-26-11)15(23)19-16(24)20-17/h2-6H,7-8H2,1H3,(H2,19,20,23,24)/t17-/m0/s1
InChIKeyBDROZTSMAKJUKB-KRWDZBQOSA-N
MW359.31 g/mol
LogP1.12
Rot. Bonds4

About (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione

(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione (PubChem CID 46199193) has the molecular formula C17H14FN3O5 and a molecular weight of 359.31 g/mol. Its IUPAC name is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione
PubChem CID46199193
Molecular FormulaC17H14FN3O5
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3ccco3)NC(=O)NC1=O)C2
InChIInChI=1S/C17H14FN3O5/c1-25-10-5-4-9-7-21(14(22)12(9)13(10)18)8-17(11-3-2-6-26-11)15(23)19-16(24)20-17/h2-6H,7-8H2,1H3,(H2,19,20,23,24)/t17-/m0/s1
InChIKeyBDROZTSMAKJUKB-KRWDZBQOSA-N
XLogP1.12
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione 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

(5S)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(furan-2-yl)imidazolidine-2,4-dione
CID 70232443
5-ethyl-5-[2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-yl]imidazolidine-2,4-dione
CID 58053832
(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-methyl-3-phenyl-3H-1,2-oxazol-5-yl)imidazolidine-2,4-dione
CID 58053749
(5S)-5-(5-chloro-6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46200284
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione
CID 58053369
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluoro-3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione
CID 58054028
2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-imidazolidine]-2',4'-dione
CID 45102640
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 58054057
5-[6-fluoro-2-[4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-3a,7a-dihydro-1-benzofuran-5-yl]-5-methylimidazolidine-2,4-dione
CID 91314451
5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 77403770
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(4-propan-2-ylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 46199504
5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(7-oxo-8-pyridin-3-yl-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione
CID 58053849

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione (CID 46199193) is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3ccco3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione?
The InChIKey is BDROZTSMAKJUKB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H14FN3O5/c1-25-10-5-4-9-7-21(14(22)12(9)13(10)18)8-17(11-3-2-6-26-11)15(23)19-16(24)20-17/h2-6H,7-8H2,1H3,(H2,19,20,23,24)/t17-/m0/s1.
What are the key properties of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione?
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione has a molecular weight of 359.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 46199193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).