(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione

C18H17N3O4 — CID 2176608

IUPAC(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H17N3O4/c22-17-15(19-18(23)21(17)13-4-2-1-3-5-13)12-14-6-7-16(25-14)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,23)/b15-12+
InChIKeyDMSXYYIILDMJHD-NTCAYCPXSA-N
MW339.35 g/mol
LogP2.21
Rot. Bonds3

About (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione

(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione (PubChem CID 2176608) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione
PubChem CID2176608
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H17N3O4/c22-17-15(19-18(23)21(17)13-4-2-1-3-5-13)12-14-6-7-16(25-14)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,23)/b15-12+
InChIKeyDMSXYYIILDMJHD-NTCAYCPXSA-N
XLogP2.21
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione (CID 2176608) is (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione is O=C1N/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N1c1ccccc1.
What is the InChIKey of (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
The InChIKey is DMSXYYIILDMJHD-NTCAYCPXSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-17-15(19-18(23)21(17)13-4-2-1-3-5-13)12-14-6-7-16(25-14)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,23)/b15-12+.
What are the key properties of (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione has a molecular weight of 339.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 2176608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).