5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one

C26H23N3O2 — CID 3070689

IUPAC5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one
SMILESO=C1C(=Cc2ccccc2)N=C(c2ccccc2)N1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H23N3O2/c30-26-24(19-20-7-3-1-4-8-20)27-25(21-9-5-2-6-10-21)29(26)23-13-11-22(12-14-23)28-15-17-31-18-16-28/h1-14,19H,15-18H2
InChIKeyMXRXMJJOFYVYEI-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.36
Rot. Bonds4

About 5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one

5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one (PubChem CID 3070689) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one.

Molecular Properties

Compound Name5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one
PubChem CID3070689
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one
SMILESO=C1C(=Cc2ccccc2)N=C(c2ccccc2)N1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H23N3O2/c30-26-24(19-20-7-3-1-4-8-20)27-25(21-9-5-2-6-10-21)29(26)23-13-11-22(12-14-23)28-15-17-31-18-16-28/h1-14,19H,15-18H2
InChIKeyMXRXMJJOFYVYEI-UHFFFAOYSA-N
XLogP4.36
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one?
The IUPAC name of 5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one (CID 3070689) is 5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one.
What is the SMILES notation for 5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one?
The canonical SMILES for 5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one is O=C1C(=Cc2ccccc2)N=C(c2ccccc2)N1c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one?
The InChIKey is MXRXMJJOFYVYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c30-26-24(19-20-7-3-1-4-8-20)27-25(21-9-5-2-6-10-21)29(26)23-13-11-22(12-14-23)28-15-17-31-18-16-28/h1-14,19H,15-18H2.
What are the key properties of 5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one?
5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one has a molecular weight of 409.49 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one is sourced from PubChem (CID 3070689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).