(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-phenylimidazol-4-one

C17H14N2O2 — CID 56648879

IUPAC(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
SMILESCN1C(=O)/C(=C/c2ccccc2O)N=C1c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-19-16(12-7-3-2-4-8-12)18-14(17(19)21)11-13-9-5-6-10-15(13)20/h2-11,20H,1H3/b14-11-
InChIKeyKTJCJDZBOGATNG-KAMYIIQDSA-N
MW278.31 g/mol
LogP2.65
Rot. Bonds2

About (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-phenylimidazol-4-one

(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-phenylimidazol-4-one (PubChem CID 56648879) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-phenylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
PubChem CID56648879
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
SMILESCN1C(=O)/C(=C/c2ccccc2O)N=C1c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-19-16(12-7-3-2-4-8-12)18-14(17(19)21)11-13-9-5-6-10-15(13)20/h2-11,20H,1H3/b14-11-
InChIKeyKTJCJDZBOGATNG-KAMYIIQDSA-N
XLogP2.65
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-phenethyl-3H-pyrimidin-4-one
CID 135515453
6-(2-hydroxyphenyl)-2-phenylpyrimidin-4-ol, Un-nameable (empty structure)
CID 135803995
2-(2-Hydroxyphenyl)-6-methyl-4-pyrimidinol
CID 135421721
2-(2-Hydroxy-phenyl)-5,6-dimethyl-3-phenethyl-3H-pyrimidin-4-one
CID 135422953
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-6-methyl-5-propyl-3H-pyrimidin-4-one
CID 135423282
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-5-isopropyl-6-methyl-3H-pyrimidin-4-one
CID 135430131
5-Ethyl-2-(2-hydroxy-phenyl)-6-methyl-3-phenethyl-3H-pyrimidin-4-one
CID 135454814
5-Cyclopropyl-3-[2-(3-fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-6-methyl-3H-pyrimidin-4-one
CID 135508434
2-(2-Hydroxy-phenyl)-5-methyl-3-phenethyl-6-trifluoromethyl-3H-pyrimidin-4-one
CID 135537654
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-5,6-dimethyl-3H-pyrimidin-4-one
CID 135540474
3-[2-(2-fluoro-phenyl)ethyl]-2-(2-hydroxy-phenyl)-6-methyl-3H-pyrimidin-4-one
CID 135483641
2-(2-Hydroxy-phenyl)-6-methyl-3-phenethyl-3H-pyrimidin-4-one
CID 135494510

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-phenylimidazol-4-one?
The IUPAC name of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-phenylimidazol-4-one (CID 56648879) is (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-phenylimidazol-4-one.
What is the SMILES notation for (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-phenylimidazol-4-one?
The canonical SMILES for (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-phenylimidazol-4-one is CN1C(=O)/C(=C/c2ccccc2O)N=C1c1ccccc1.
What is the InChIKey of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-phenylimidazol-4-one?
The InChIKey is KTJCJDZBOGATNG-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-19-16(12-7-3-2-4-8-12)18-14(17(19)21)11-13-9-5-6-10-15(13)20/h2-11,20H,1H3/b14-11-.
What are the key properties of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-phenylimidazol-4-one?
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-phenylimidazol-4-one has a molecular weight of 278.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-phenylimidazol-4-one is sourced from PubChem (CID 56648879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).