(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

C23H16F2N4O6 — CID 58054028

IUPAC(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
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4c5c(c(F)cc4o3)C(=O)NC5)NC(=O)NC1=O)C2
InChIInChI=1S/C23H16F2N4O6/c1-34-13-3-2-9-7-29(20(31)16(9)18(13)25)8-23(21(32)27-22(33)28-23)15-4-10-11-6-26-19(30)17(11)12(24)5-14(10)35-15/h2-5H,6-8H2,1H3,(H,26,30)(H2,27,28,32,33)/t23-/m0/s1
InChIKeyDAHDEODRCNMSMI-QHCPKHFHSA-N
MW482.40 g/mol
LogP1.65
Rot. Bonds4

About (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

(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 (PubChem CID 58054028) has the molecular formula C23H16F2N4O6 and a molecular weight of 482.40 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID58054028
Molecular FormulaC23H16F2N4O6
Molecular Weight482.40 g/mol
Exact Mass482.10
IUPAC Name(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
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4c5c(c(F)cc4o3)C(=O)NC5)NC(=O)NC1=O)C2
InChIInChI=1S/C23H16F2N4O6/c1-34-13-3-2-9-7-29(20(31)16(9)18(13)25)8-23(21(32)27-22(33)28-23)15-4-10-11-6-26-19(30)17(11)12(24)5-14(10)35-15/h2-5H,6-8H2,1H3,(H,26,30)(H2,27,28,32,33)/t23-/m0/s1
InChIKeyDAHDEODRCNMSMI-QHCPKHFHSA-N
XLogP1.65
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.40
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(4-fluoro-3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4c5c(c(F)cc4o3)C(=O)NC5)NC(=O)NC1=O)C2.
What is the InChIKey of (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?
The InChIKey is DAHDEODRCNMSMI-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H16F2N4O6/c1-34-13-3-2-9-7-29(20(31)16(9)18(13)25)8-23(21(32)27-22(33)28-23)15-4-10-11-6-26-19(30)17(11)12(24)5-14(10)35-15/h2-5H,6-8H2,1H3,(H,26,30)(H2,27,28,32,33)/t23-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 482.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 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-(4-fluoro-3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 58054028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).