(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one

C18H16N2O2 — CID 135517619

IUPAC(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
SMILESCOc1ccccc1/C=C1\N=C(c2ccc(C)cc2)NC1=O
InChIInChI=1S/C18H16N2O2/c1-12-7-9-13(10-8-12)17-19-15(18(21)20-17)11-14-5-3-4-6-16(14)22-2/h3-11H,1-2H3,(H,19,20,21)/b15-11-
InChIKeyQPXUIHZKMFJZKR-PTNGSMBKSA-N
MW292.34 g/mol
LogP2.92
Rot. Bonds3

About (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one

(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one (PubChem CID 135517619) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
PubChem CID135517619
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
SMILESCOc1ccccc1/C=C1\N=C(c2ccc(C)cc2)NC1=O
InChIInChI=1S/C18H16N2O2/c1-12-7-9-13(10-8-12)17-19-15(18(21)20-17)11-14-5-3-4-6-16(14)22-2/h3-11H,1-2H3,(H,19,20,21)/b15-11-
InChIKeyQPXUIHZKMFJZKR-PTNGSMBKSA-N
XLogP2.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one (CID 135517619) is (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one is COc1ccccc1/C=C1\N=C(c2ccc(C)cc2)NC1=O.
What is the InChIKey of (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
The InChIKey is QPXUIHZKMFJZKR-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-7-9-13(10-8-12)17-19-15(18(21)20-17)11-14-5-3-4-6-16(14)22-2/h3-11H,1-2H3,(H,19,20,21)/b15-11-.
What are the key properties of (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one has a molecular weight of 292.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one is sourced from PubChem (CID 135517619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).