(5E)-5-benzylidene-2-morpholin-4-yl-3-phenylimidazol-4-one

C20H19N3O2 — CID 682046

IUPAC(5E)-5-benzylidene-2-morpholin-4-yl-3-phenylimidazol-4-one
SMILESO=C1/C(=C\c2ccccc2)N=C(N2CCOCC2)N1c1ccccc1
InChIInChI=1S/C20H19N3O2/c24-19-18(15-16-7-3-1-4-8-16)21-20(22-11-13-25-14-12-22)23(19)17-9-5-2-6-10-17/h1-10,15H,11-14H2/b18-15+
InChIKeyWLDLFLXQPVEUHH-OBGWFSINSA-N
MW333.39 g/mol
LogP2.76
Rot. Bonds2

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

(5E)-5-benzylidene-2-morpholin-4-yl-3-phenylimidazol-4-one (PubChem CID 682046) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (5E)-5-benzylidene-2-morpholin-4-yl-3-phenylimidazol-4-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-2-morpholin-4-yl-3-phenylimidazol-4-one
PubChem CID682046
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(5E)-5-benzylidene-2-morpholin-4-yl-3-phenylimidazol-4-one
SMILESO=C1/C(=C\c2ccccc2)N=C(N2CCOCC2)N1c1ccccc1
InChIInChI=1S/C20H19N3O2/c24-19-18(15-16-7-3-1-4-8-16)21-20(22-11-13-25-14-12-22)23(19)17-9-5-2-6-10-17/h1-10,15H,11-14H2/b18-15+
InChIKeyWLDLFLXQPVEUHH-OBGWFSINSA-N
XLogP2.76
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one
CID 3070689
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one
CID 11224062
4-methyl-2-morpholin-4-yl-1-phenyl-4H-imidazol-5-one
CID 11345966
(5Z)-3-(4-ethoxyphenyl)-2-ethylsulfanyl-5-[(4-morpholin-4-ylphenyl)methylidene]imidazol-4-one
CID 46246841
(5Z)-5-benzylidene-3-phenyl-2-propan-2-ylsulfanylimidazol-4-one
CID 11023709
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
CID 102169883
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
(5Z)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-selenomorpholin-4-ylimidazol-4-one
CID 11751543
(4E)-2-(4-hydroxyphenyl)-4-[[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]methylidene]-1,3-oxazol-5-one
CID 136846535
5-benzylidene-3-(3-chlorophenyl)-2-methylimidazol-4-one
CID 4060854
(5Z)-1-benzyl-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2293133
5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126027637

Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-2-morpholin-4-yl-3-phenylimidazol-4-one?
The IUPAC name of (5E)-5-benzylidene-2-morpholin-4-yl-3-phenylimidazol-4-one (CID 682046) is (5E)-5-benzylidene-2-morpholin-4-yl-3-phenylimidazol-4-one.
What is the SMILES notation for (5E)-5-benzylidene-2-morpholin-4-yl-3-phenylimidazol-4-one?
The canonical SMILES for (5E)-5-benzylidene-2-morpholin-4-yl-3-phenylimidazol-4-one is O=C1/C(=C\c2ccccc2)N=C(N2CCOCC2)N1c1ccccc1.
What is the InChIKey of (5E)-5-benzylidene-2-morpholin-4-yl-3-phenylimidazol-4-one?
The InChIKey is WLDLFLXQPVEUHH-OBGWFSINSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-19-18(15-16-7-3-1-4-8-16)21-20(22-11-13-25-14-12-22)23(19)17-9-5-2-6-10-17/h1-10,15H,11-14H2/b18-15+.
What are the key properties of (5E)-5-benzylidene-2-morpholin-4-yl-3-phenylimidazol-4-one?
(5E)-5-benzylidene-2-morpholin-4-yl-3-phenylimidazol-4-one has a molecular weight of 333.39 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-2-morpholin-4-yl-3-phenylimidazol-4-one is sourced from PubChem (CID 682046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).