(5Z)-5-benzylidene-3-phenylimidazol-4-one

C16H12N2O — CID 102488733

IUPAC(5Z)-5-benzylidene-3-phenylimidazol-4-one
SMILESO=C1/C(=C/c2ccccc2)N=CN1c1ccccc1
InChIInChI=1S/C16H12N2O/c19-16-15(11-13-7-3-1-4-8-13)17-12-18(16)14-9-5-2-6-10-14/h1-12H/b15-11-
InChIKeyJDBNMOUHOAWLFI-PTNGSMBKSA-N
MW248.29 g/mol
LogP3.10
Rot. Bonds2

About (5Z)-5-benzylidene-3-phenylimidazol-4-one

(5Z)-5-benzylidene-3-phenylimidazol-4-one (PubChem CID 102488733) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-phenylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-phenylimidazol-4-one
PubChem CID102488733
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name(5Z)-5-benzylidene-3-phenylimidazol-4-one
SMILESO=C1/C(=C/c2ccccc2)N=CN1c1ccccc1
InChIInChI=1S/C16H12N2O/c19-16-15(11-13-7-3-1-4-8-13)17-12-18(16)14-9-5-2-6-10-14/h1-12H/b15-11-
InChIKeyJDBNMOUHOAWLFI-PTNGSMBKSA-N
XLogP3.10
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenylimidazole-4,5-dione
CID 141161063
(5E)-5-benzylidene-1,3-diphenyl-2H-1,2,4-triazin-6-one
CID 6085341
(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)-5-benzylidene-3-phenyl-2-propan-2-ylsulfanylimidazol-4-one
CID 11023709
(5E)-5-benzylidene-2-morpholin-4-yl-3-phenylimidazol-4-one
CID 682046
5-benzylidene-3-(3-chlorophenyl)-2-methylimidazol-4-one
CID 4060854
5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one
CID 3070689
(4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide
CID 11543853
(5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one
CID 46496778
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one
CID 6532748
5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
CID 71951452

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3-phenylimidazol-4-one?
The IUPAC name of (5Z)-5-benzylidene-3-phenylimidazol-4-one (CID 102488733) is (5Z)-5-benzylidene-3-phenylimidazol-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-3-phenylimidazol-4-one?
The canonical SMILES for (5Z)-5-benzylidene-3-phenylimidazol-4-one is O=C1/C(=C/c2ccccc2)N=CN1c1ccccc1.
What is the InChIKey of (5Z)-5-benzylidene-3-phenylimidazol-4-one?
The InChIKey is JDBNMOUHOAWLFI-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16-15(11-13-7-3-1-4-8-13)17-12-18(16)14-9-5-2-6-10-14/h1-12H/b15-11-.
What are the key properties of (5Z)-5-benzylidene-3-phenylimidazol-4-one?
(5Z)-5-benzylidene-3-phenylimidazol-4-one has a molecular weight of 248.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-phenylimidazol-4-one is sourced from PubChem (CID 102488733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).