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

C24H36N2O2 — CID 102218194

IUPAC(5Z)-5-[(4-dodecoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one
SMILESCCCCCCCCCCCCOc1ccc(/C=C2\N=C(C)N(C)C2=O)cc1
InChIInChI=1S/C24H36N2O2/c1-4-5-6-7-8-9-10-11-12-13-18-28-22-16-14-21(15-17-22)19-23-24(27)26(3)20(2)25-23/h14-17,19H,4-13,18H2,1-3H3/b23-19-
InChIKeyJFBXZCHTRGZIPY-NMWGTECJSA-N
MW384.56 g/mol
LogP6.22
Rot. Bonds13

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

(5Z)-5-[(4-dodecoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one (PubChem CID 102218194) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is (5Z)-5-[(4-dodecoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-dodecoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one
PubChem CID102218194
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name(5Z)-5-[(4-dodecoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one
SMILESCCCCCCCCCCCCOc1ccc(/C=C2\N=C(C)N(C)C2=O)cc1
InChIInChI=1S/C24H36N2O2/c1-4-5-6-7-8-9-10-11-12-13-18-28-22-16-14-21(15-17-22)19-23-24(27)26(3)20(2)25-23/h14-17,19H,4-13,18H2,1-3H3/b23-19-
InChIKeyJFBXZCHTRGZIPY-NMWGTECJSA-N
XLogP6.22
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 56.22
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-dodecoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one?
The IUPAC name of (5Z)-5-[(4-dodecoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one (CID 102218194) is (5Z)-5-[(4-dodecoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-dodecoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one?
The canonical SMILES for (5Z)-5-[(4-dodecoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one is CCCCCCCCCCCCOc1ccc(/C=C2\N=C(C)N(C)C2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-dodecoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one?
The InChIKey is JFBXZCHTRGZIPY-NMWGTECJSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-4-5-6-7-8-9-10-11-12-13-18-28-22-16-14-21(15-17-22)19-23-24(27)26(3)20(2)25-23/h14-17,19H,4-13,18H2,1-3H3/b23-19-.
What are the key properties of (5Z)-5-[(4-dodecoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one?
(5Z)-5-[(4-dodecoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one has a molecular weight of 384.56 g/mol, XLogP of 6.22, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-dodecoxyphenyl)methylidene]-2,3-dimethylimidazol-4-one is sourced from PubChem (CID 102218194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).