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

C17H15N3O5 — CID 46881609

IUPAC(5S)-5-(furan-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccco3)NC(=O)NC1=O)C2
InChIInChI=1S/C17H15N3O5/c1-24-11-5-4-10-8-20(14(21)12(10)7-11)9-17(13-3-2-6-25-13)15(22)18-16(23)19-17/h2-7H,8-9H2,1H3,(H2,18,19,22,23)/t17-/m0/s1
InChIKeyXXKBGJSOWWMEIT-KRWDZBQOSA-N
MW341.32 g/mol
LogP0.98
Rot. Bonds4

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

(5S)-5-(furan-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 46881609) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is (5S)-5-(furan-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(furan-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID46881609
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name(5S)-5-(furan-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccco3)NC(=O)NC1=O)C2
InChIInChI=1S/C17H15N3O5/c1-24-11-5-4-10-8-20(14(21)12(10)7-11)9-17(13-3-2-6-25-13)15(22)18-16(23)19-17/h2-7H,8-9H2,1H3,(H2,18,19,22,23)/t17-/m0/s1
InChIKeyXXKBGJSOWWMEIT-KRWDZBQOSA-N
XLogP0.98
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(furan-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(furan-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 46881609) is (5S)-5-(furan-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(furan-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(furan-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccco3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-(furan-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is XXKBGJSOWWMEIT-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-24-11-5-4-10-8-20(14(21)12(10)7-11)9-17(13-3-2-6-25-13)15(22)18-16(23)19-17/h2-7H,8-9H2,1H3,(H2,18,19,22,23)/t17-/m0/s1.
What are the key properties of (5S)-5-(furan-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-(furan-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 341.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(furan-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46881609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).