[3-[(2E,4E)-2-ethenyl-4-fluorohexa-2,4-dienyl]imidazol-4-yl]methanol

C12H15FN2O — CID 142091450

IUPAC[3-[(2E,4E)-2-ethenyl-4-fluorohexa-2,4-dienyl]imidazol-4-yl]methanol
SMILESC=C/C(=C\C(F)=C/C)Cn1cncc1CO
InChIInChI=1S/C12H15FN2O/c1-3-10(5-11(13)4-2)7-15-9-14-6-12(15)8-16/h3-6,9,16H,1,7-8H2,2H3/b10-5+,11-4+
InChIKeyJALOQBAEOZWSPX-HRCIMPOESA-N
MW222.26 g/mol
LogP2.36
Rot. Bonds5

About [3-[(2E,4E)-2-ethenyl-4-fluorohexa-2,4-dienyl]imidazol-4-yl]methanol

[3-[(2E,4E)-2-ethenyl-4-fluorohexa-2,4-dienyl]imidazol-4-yl]methanol (PubChem CID 142091450) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is [3-[(2E,4E)-2-ethenyl-4-fluorohexa-2,4-dienyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[(2E,4E)-2-ethenyl-4-fluorohexa-2,4-dienyl]imidazol-4-yl]methanol
PubChem CID142091450
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name[3-[(2E,4E)-2-ethenyl-4-fluorohexa-2,4-dienyl]imidazol-4-yl]methanol
SMILESC=C/C(=C\C(F)=C/C)Cn1cncc1CO
InChIInChI=1S/C12H15FN2O/c1-3-10(5-11(13)4-2)7-15-9-14-6-12(15)8-16/h3-6,9,16H,1,7-8H2,2H3/b10-5+,11-4+
InChIKeyJALOQBAEOZWSPX-HRCIMPOESA-N
XLogP2.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[(2E,4E)-2-ethenyl-4-fluorohexa-2,4-dienyl]imidazol-4-yl]methanol?
The IUPAC name of [3-[(2E,4E)-2-ethenyl-4-fluorohexa-2,4-dienyl]imidazol-4-yl]methanol (CID 142091450) is [3-[(2E,4E)-2-ethenyl-4-fluorohexa-2,4-dienyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[(2E,4E)-2-ethenyl-4-fluorohexa-2,4-dienyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[(2E,4E)-2-ethenyl-4-fluorohexa-2,4-dienyl]imidazol-4-yl]methanol is C=C/C(=C\C(F)=C/C)Cn1cncc1CO.
What is the InChIKey of [3-[(2E,4E)-2-ethenyl-4-fluorohexa-2,4-dienyl]imidazol-4-yl]methanol?
The InChIKey is JALOQBAEOZWSPX-HRCIMPOESA-N. The full InChI is InChI=1S/C12H15FN2O/c1-3-10(5-11(13)4-2)7-15-9-14-6-12(15)8-16/h3-6,9,16H,1,7-8H2,2H3/b10-5+,11-4+.
What are the key properties of [3-[(2E,4E)-2-ethenyl-4-fluorohexa-2,4-dienyl]imidazol-4-yl]methanol?
[3-[(2E,4E)-2-ethenyl-4-fluorohexa-2,4-dienyl]imidazol-4-yl]methanol has a molecular weight of 222.26 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2E,4E)-2-ethenyl-4-fluorohexa-2,4-dienyl]imidazol-4-yl]methanol is sourced from PubChem (CID 142091450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).