(5Z)-5-(furan-3-ylmethylidene)-2-methyl-3-[4-(oxiran-2-ylmethoxy)phenyl]imidazol-4-one

C18H16N2O4 — CID 162649222

IUPAC(5Z)-5-(furan-3-ylmethylidene)-2-methyl-3-[4-(oxiran-2-ylmethoxy)phenyl]imidazol-4-one
SMILESCC1=N/C(=C\c2ccoc2)C(=O)N1c1ccc(OCC2CO2)cc1
InChIInChI=1S/C18H16N2O4/c1-12-19-17(8-13-6-7-22-9-13)18(21)20(12)14-2-4-15(5-3-14)23-10-16-11-24-16/h2-9,16H,10-11H2,1H3/b17-8-
InChIKeyRFRKSPYLFBWTJF-IUXPMGMMSA-N
MW324.34 g/mol
LogP2.86
Rot. Bonds5

About (5Z)-5-(furan-3-ylmethylidene)-2-methyl-3-[4-(oxiran-2-ylmethoxy)phenyl]imidazol-4-one

(5Z)-5-(furan-3-ylmethylidene)-2-methyl-3-[4-(oxiran-2-ylmethoxy)phenyl]imidazol-4-one (PubChem CID 162649222) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is (5Z)-5-(furan-3-ylmethylidene)-2-methyl-3-[4-(oxiran-2-ylmethoxy)phenyl]imidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-(furan-3-ylmethylidene)-2-methyl-3-[4-(oxiran-2-ylmethoxy)phenyl]imidazol-4-one
PubChem CID162649222
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name(5Z)-5-(furan-3-ylmethylidene)-2-methyl-3-[4-(oxiran-2-ylmethoxy)phenyl]imidazol-4-one
SMILESCC1=N/C(=C\c2ccoc2)C(=O)N1c1ccc(OCC2CO2)cc1
InChIInChI=1S/C18H16N2O4/c1-12-19-17(8-13-6-7-22-9-13)18(21)20(12)14-2-4-15(5-3-14)23-10-16-11-24-16/h2-9,16H,10-11H2,1H3/b17-8-
InChIKeyRFRKSPYLFBWTJF-IUXPMGMMSA-N
XLogP2.86
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(furan-3-ylmethylidene)-2-methyl-3-[4-(oxiran-2-ylmethoxy)phenyl]imidazol-4-one?
The IUPAC name of (5Z)-5-(furan-3-ylmethylidene)-2-methyl-3-[4-(oxiran-2-ylmethoxy)phenyl]imidazol-4-one (CID 162649222) is (5Z)-5-(furan-3-ylmethylidene)-2-methyl-3-[4-(oxiran-2-ylmethoxy)phenyl]imidazol-4-one.
What is the SMILES notation for (5Z)-5-(furan-3-ylmethylidene)-2-methyl-3-[4-(oxiran-2-ylmethoxy)phenyl]imidazol-4-one?
The canonical SMILES for (5Z)-5-(furan-3-ylmethylidene)-2-methyl-3-[4-(oxiran-2-ylmethoxy)phenyl]imidazol-4-one is CC1=N/C(=C\c2ccoc2)C(=O)N1c1ccc(OCC2CO2)cc1.
What is the InChIKey of (5Z)-5-(furan-3-ylmethylidene)-2-methyl-3-[4-(oxiran-2-ylmethoxy)phenyl]imidazol-4-one?
The InChIKey is RFRKSPYLFBWTJF-IUXPMGMMSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-12-19-17(8-13-6-7-22-9-13)18(21)20(12)14-2-4-15(5-3-14)23-10-16-11-24-16/h2-9,16H,10-11H2,1H3/b17-8-.
What are the key properties of (5Z)-5-(furan-3-ylmethylidene)-2-methyl-3-[4-(oxiran-2-ylmethoxy)phenyl]imidazol-4-one?
(5Z)-5-(furan-3-ylmethylidene)-2-methyl-3-[4-(oxiran-2-ylmethoxy)phenyl]imidazol-4-one has a molecular weight of 324.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(furan-3-ylmethylidene)-2-methyl-3-[4-(oxiran-2-ylmethoxy)phenyl]imidazol-4-one is sourced from PubChem (CID 162649222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).