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

C23H18N2O2 — CID 163183676

IUPAC(5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one
SMILESO=C1/C(=C/c2ccc(O)cc2)N=C(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H18N2O2/c26-20-13-11-17(12-14-20)15-21-23(27)25(16-18-7-3-1-4-8-18)22(24-21)19-9-5-2-6-10-19/h1-15,26H,16H2/b21-15-
InChIKeySNUBXECULZASJK-QNGOZBTKSA-N
MW354.41 g/mol
LogP4.22
Rot. Bonds4

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

(5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one (PubChem CID 163183676) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is (5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one
PubChem CID163183676
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name(5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one
SMILESO=C1/C(=C/c2ccc(O)cc2)N=C(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H18N2O2/c26-20-13-11-17(12-14-20)15-21-23(27)25(16-18-7-3-1-4-8-18)22(24-21)19-9-5-2-6-10-19/h1-15,26H,16H2/b21-15-
InChIKeySNUBXECULZASJK-QNGOZBTKSA-N
XLogP4.22
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.22
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
2-(2-Hydroxy-phenyl)-5,6-dimethyl-3-phenethyl-3H-pyrimidin-4-one
CID 135422953
5-Ethyl-2-(2-hydroxy-phenyl)-6-methyl-3-phenethyl-3H-pyrimidin-4-one
CID 135454814
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
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-6-methyl-3H-pyrimidin-4-one
CID 135507431
(5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one
CID 168141019
(5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylimidazol-4-one
CID 168141035
2-(4-hydroxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 23625669
2-(4-fluorophenyl)-5-hydroxy-N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136262731

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one?
The IUPAC name of (5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one (CID 163183676) is (5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one.
What is the SMILES notation for (5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one?
The canonical SMILES for (5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one is O=C1/C(=C/c2ccc(O)cc2)N=C(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one?
The InChIKey is SNUBXECULZASJK-QNGOZBTKSA-N. The full InChI is InChI=1S/C23H18N2O2/c26-20-13-11-17(12-14-20)15-21-23(27)25(16-18-7-3-1-4-8-18)22(24-21)19-9-5-2-6-10-19/h1-15,26H,16H2/b21-15-.
What are the key properties of (5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one?
(5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one has a molecular weight of 354.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one is sourced from PubChem (CID 163183676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).