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

C17H15N3O2 — CID 135747162

IUPAC(4Z)-2-anilino-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1ccc(/C=C2\N=C(Nc3ccccc3)NC2=O)cc1
InChIInChI=1S/C17H15N3O2/c1-22-14-9-7-12(8-10-14)11-15-16(21)20-17(19-15)18-13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,19,20,21)/b15-11-
InChIKeyXSEOLUNNBOQVET-PTNGSMBKSA-N
MW293.33 g/mol
LogP2.63
Rot. Bonds3

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

(4Z)-2-anilino-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 135747162) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (4Z)-2-anilino-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-anilino-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID135747162
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(4Z)-2-anilino-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1ccc(/C=C2\N=C(Nc3ccccc3)NC2=O)cc1
InChIInChI=1S/C17H15N3O2/c1-22-14-9-7-12(8-10-14)11-15-16(21)20-17(19-15)18-13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,19,20,21)/b15-11-
InChIKeyXSEOLUNNBOQVET-PTNGSMBKSA-N
XLogP2.63
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-2-anilino-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-anilino-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one (CID 135747162) is (4Z)-2-anilino-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-anilino-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-anilino-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one is COc1ccc(/C=C2\N=C(Nc3ccccc3)NC2=O)cc1.
What is the InChIKey of (4Z)-2-anilino-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is XSEOLUNNBOQVET-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-14-9-7-12(8-10-14)11-15-16(21)20-17(19-15)18-13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,19,20,21)/b15-11-.
What are the key properties of (4Z)-2-anilino-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-anilino-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 293.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-anilino-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 135747162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).