2-ethyl-5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium

C14H19FN2O2 — CID 2917114

IUPAC2-ethyl-5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium
SMILESCCC1(C)N(O)C(C)(C)C(c2ccc(F)cc2)=[N+]1[O-]
InChIInChI=1S/C14H19FN2O2/c1-5-14(4)16(18)12(13(2,3)17(14)19)10-6-8-11(15)9-7-10/h6-9,19H,5H2,1-4H3
InChIKeyKIXXHLWVEHZYAI-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.73
Rot. Bonds2

About 2-ethyl-5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium

2-ethyl-5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium (PubChem CID 2917114) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-ethyl-5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium.

Molecular Properties

Compound Name2-ethyl-5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium
PubChem CID2917114
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-ethyl-5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium
SMILESCCC1(C)N(O)C(C)(C)C(c2ccc(F)cc2)=[N+]1[O-]
InChIInChI=1S/C14H19FN2O2/c1-5-14(4)16(18)12(13(2,3)17(14)19)10-6-8-11(15)9-7-10/h6-9,19H,5H2,1-4H3
InChIKeyKIXXHLWVEHZYAI-UHFFFAOYSA-N
XLogP2.73
TPSA49.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-ethyl-5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium?
The IUPAC name of 2-ethyl-5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium (CID 2917114) is 2-ethyl-5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium.
What is the SMILES notation for 2-ethyl-5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium?
The canonical SMILES for 2-ethyl-5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium is CCC1(C)N(O)C(C)(C)C(c2ccc(F)cc2)=[N+]1[O-].
What is the InChIKey of 2-ethyl-5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium?
The InChIKey is KIXXHLWVEHZYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-5-14(4)16(18)12(13(2,3)17(14)19)10-6-8-11(15)9-7-10/h6-9,19H,5H2,1-4H3.
What are the key properties of 2-ethyl-5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium?
2-ethyl-5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium has a molecular weight of 266.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium is sourced from PubChem (CID 2917114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).