1-(2-fluoropent-2-enyl)-5-hexylimidazole

C14H23FN2 — CID 88515381

IUPAC1-(2-fluoropent-2-enyl)-5-hexylimidazole
SMILESCCC=C(F)Cn1cncc1CCCCCC
InChIInChI=1S/C14H23FN2/c1-3-5-6-7-9-14-10-16-12-17(14)11-13(15)8-4-2/h8,10,12H,3-7,9,11H2,1-2H3
InChIKeyMHJNGIPTNYHLDB-UHFFFAOYSA-N
MW238.35 g/mol
LogP4.27
Rot. Bonds8

About 1-(2-fluoropent-2-enyl)-5-hexylimidazole

1-(2-fluoropent-2-enyl)-5-hexylimidazole (PubChem CID 88515381) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(2-fluoropent-2-enyl)-5-hexylimidazole.

Molecular Properties

Compound Name1-(2-fluoropent-2-enyl)-5-hexylimidazole
PubChem CID88515381
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name1-(2-fluoropent-2-enyl)-5-hexylimidazole
SMILESCCC=C(F)Cn1cncc1CCCCCC
InChIInChI=1S/C14H23FN2/c1-3-5-6-7-9-14-10-16-12-17(14)11-13(15)8-4-2/h8,10,12H,3-7,9,11H2,1-2H3
InChIKeyMHJNGIPTNYHLDB-UHFFFAOYSA-N
XLogP4.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropent-2-enyl)-5-hexylimidazole?
The IUPAC name of 1-(2-fluoropent-2-enyl)-5-hexylimidazole (CID 88515381) is 1-(2-fluoropent-2-enyl)-5-hexylimidazole.
What is the SMILES notation for 1-(2-fluoropent-2-enyl)-5-hexylimidazole?
The canonical SMILES for 1-(2-fluoropent-2-enyl)-5-hexylimidazole is CCC=C(F)Cn1cncc1CCCCCC.
What is the InChIKey of 1-(2-fluoropent-2-enyl)-5-hexylimidazole?
The InChIKey is MHJNGIPTNYHLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-3-5-6-7-9-14-10-16-12-17(14)11-13(15)8-4-2/h8,10,12H,3-7,9,11H2,1-2H3.
What are the key properties of 1-(2-fluoropent-2-enyl)-5-hexylimidazole?
1-(2-fluoropent-2-enyl)-5-hexylimidazole has a molecular weight of 238.35 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropent-2-enyl)-5-hexylimidazole is sourced from PubChem (CID 88515381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).