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

C16H12FN3O5 — CID 70233990

IUPAC(5R)-5-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](CN2Cc3ccc(O)c(F)c3C2=O)(c2ccco2)N1
InChIInChI=1S/C16H12FN3O5/c17-12-9(21)4-3-8-6-20(13(22)11(8)12)7-16(10-2-1-5-25-10)14(23)18-15(24)19-16/h1-5,21H,6-7H2,(H2,18,19,23,24)/t16-/m1/s1
InChIKeySKLFGYDHHHHWBK-MRXNPFEDSA-N
MW345.29 g/mol
LogP0.81
Rot. Bonds3

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

(5R)-5-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione (PubChem CID 70233990) has the molecular formula C16H12FN3O5 and a molecular weight of 345.29 g/mol. Its IUPAC name is (5R)-5-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione
PubChem CID70233990
Molecular FormulaC16H12FN3O5
Molecular Weight345.29 g/mol
Exact Mass345.08
IUPAC Name(5R)-5-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](CN2Cc3ccc(O)c(F)c3C2=O)(c2ccco2)N1
InChIInChI=1S/C16H12FN3O5/c17-12-9(21)4-3-8-6-20(13(22)11(8)12)7-16(10-2-1-5-25-10)14(23)18-15(24)19-16/h1-5,21H,6-7H2,(H2,18,19,23,24)/t16-/m1/s1
InChIKeySKLFGYDHHHHWBK-MRXNPFEDSA-N
XLogP0.81
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-5-[(4-fluoro-5-hydroxy-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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione (CID 70233990) is (5R)-5-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione is O=C1NC(=O)[C@@](CN2Cc3ccc(O)c(F)c3C2=O)(c2ccco2)N1.
What is the InChIKey of (5R)-5-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione?
The InChIKey is SKLFGYDHHHHWBK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H12FN3O5/c17-12-9(21)4-3-8-6-20(13(22)11(8)12)7-16(10-2-1-5-25-10)14(23)18-15(24)19-16/h1-5,21H,6-7H2,(H2,18,19,23,24)/t16-/m1/s1.
What are the key properties of (5R)-5-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione?
(5R)-5-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione has a molecular weight of 345.29 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 70233990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).