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

C18H24N2O2 — CID 102218193

IUPAC(5Z)-5-[(4-hexoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one
SMILESCCCCCCOc1ccc(/C=C2\N=C(C)N(C)C2=O)cc1
InChIInChI=1S/C18H24N2O2/c1-4-5-6-7-12-22-16-10-8-15(9-11-16)13-17-18(21)20(3)14(2)19-17/h8-11,13H,4-7,12H2,1-3H3/b17-13-
InChIKeyNWERPMRGVUHHMZ-LGMDPLHJSA-N
MW300.40 g/mol
LogP3.88
Rot. Bonds7

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

(5Z)-5-[(4-hexoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one (PubChem CID 102218193) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (5Z)-5-[(4-hexoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hexoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one
PubChem CID102218193
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(5Z)-5-[(4-hexoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one
SMILESCCCCCCOc1ccc(/C=C2\N=C(C)N(C)C2=O)cc1
InChIInChI=1S/C18H24N2O2/c1-4-5-6-7-12-22-16-10-8-15(9-11-16)13-17-18(21)20(3)14(2)19-17/h8-11,13H,4-7,12H2,1-3H3/b17-13-
InChIKeyNWERPMRGVUHHMZ-LGMDPLHJSA-N
XLogP3.88
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-hexoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one?
The IUPAC name of (5Z)-5-[(4-hexoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one (CID 102218193) is (5Z)-5-[(4-hexoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-hexoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one?
The canonical SMILES for (5Z)-5-[(4-hexoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one is CCCCCCOc1ccc(/C=C2\N=C(C)N(C)C2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-hexoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one?
The InChIKey is NWERPMRGVUHHMZ-LGMDPLHJSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-4-5-6-7-12-22-16-10-8-15(9-11-16)13-17-18(21)20(3)14(2)19-17/h8-11,13H,4-7,12H2,1-3H3/b17-13-.
What are the key properties of (5Z)-5-[(4-hexoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one?
(5Z)-5-[(4-hexoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one has a molecular weight of 300.40 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hexoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one is sourced from PubChem (CID 102218193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).