(5Z)-5-[(4-aminophenyl)methylidene]-2,3-dimethylimidazol-4-one

C12H13N3O — CID 102189913

IUPAC(5Z)-5-[(4-aminophenyl)methylidene]-2,3-dimethylimidazol-4-one
SMILESCC1=N/C(=C\c2ccc(N)cc2)C(=O)N1C
InChIInChI=1S/C12H13N3O/c1-8-14-11(12(16)15(8)2)7-9-3-5-10(13)6-4-9/h3-7H,13H2,1-2H3/b11-7-
InChIKeyVJYVTBFMEFCZAB-XFFZJAGNSA-N
MW215.26 g/mol
LogP1.50
Rot. Bonds1

About (5Z)-5-[(4-aminophenyl)methylidene]-2,3-dimethylimidazol-4-one

(5Z)-5-[(4-aminophenyl)methylidene]-2,3-dimethylimidazol-4-one (PubChem CID 102189913) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (5Z)-5-[(4-aminophenyl)methylidene]-2,3-dimethylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-aminophenyl)methylidene]-2,3-dimethylimidazol-4-one
PubChem CID102189913
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(5Z)-5-[(4-aminophenyl)methylidene]-2,3-dimethylimidazol-4-one
SMILESCC1=N/C(=C\c2ccc(N)cc2)C(=O)N1C
InChIInChI=1S/C12H13N3O/c1-8-14-11(12(16)15(8)2)7-9-3-5-10(13)6-4-9/h3-7H,13H2,1-2H3/b11-7-
InChIKeyVJYVTBFMEFCZAB-XFFZJAGNSA-N
XLogP1.50
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-aminophenyl)methylidene]-2,3-dimethylimidazol-4-one?
The IUPAC name of (5Z)-5-[(4-aminophenyl)methylidene]-2,3-dimethylimidazol-4-one (CID 102189913) is (5Z)-5-[(4-aminophenyl)methylidene]-2,3-dimethylimidazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-aminophenyl)methylidene]-2,3-dimethylimidazol-4-one?
The canonical SMILES for (5Z)-5-[(4-aminophenyl)methylidene]-2,3-dimethylimidazol-4-one is CC1=N/C(=C\c2ccc(N)cc2)C(=O)N1C.
What is the InChIKey of (5Z)-5-[(4-aminophenyl)methylidene]-2,3-dimethylimidazol-4-one?
The InChIKey is VJYVTBFMEFCZAB-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-14-11(12(16)15(8)2)7-9-3-5-10(13)6-4-9/h3-7H,13H2,1-2H3/b11-7-.
What are the key properties of (5Z)-5-[(4-aminophenyl)methylidene]-2,3-dimethylimidazol-4-one?
(5Z)-5-[(4-aminophenyl)methylidene]-2,3-dimethylimidazol-4-one has a molecular weight of 215.26 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-aminophenyl)methylidene]-2,3-dimethylimidazol-4-one is sourced from PubChem (CID 102189913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).