2-ethyl-5-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1H-imidazole

C13H19FN2 — CID 142825959

IUPAC2-ethyl-5-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1H-imidazole
SMILESCC/C=C(F)\C=C/C(C)c1cnc(CC)[nH]1
InChIInChI=1S/C13H19FN2/c1-4-6-11(14)8-7-10(3)12-9-15-13(5-2)16-12/h6-10H,4-5H2,1-3H3,(H,15,16)/b8-7-,11-6+
InChIKeyJAURQFNDVOVAIS-YKFSIMETSA-N
MW222.31 g/mol
LogP3.90
Rot. Bonds5

About 2-ethyl-5-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1H-imidazole

2-ethyl-5-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1H-imidazole (PubChem CID 142825959) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-ethyl-5-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-ethyl-5-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1H-imidazole
PubChem CID142825959
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-ethyl-5-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1H-imidazole
SMILESCC/C=C(F)\C=C/C(C)c1cnc(CC)[nH]1
InChIInChI=1S/C13H19FN2/c1-4-6-11(14)8-7-10(3)12-9-15-13(5-2)16-12/h6-10H,4-5H2,1-3H3,(H,15,16)/b8-7-,11-6+
InChIKeyJAURQFNDVOVAIS-YKFSIMETSA-N
XLogP3.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1H-imidazole?
The IUPAC name of 2-ethyl-5-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1H-imidazole (CID 142825959) is 2-ethyl-5-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1H-imidazole.
What is the SMILES notation for 2-ethyl-5-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1H-imidazole?
The canonical SMILES for 2-ethyl-5-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1H-imidazole is CC/C=C(F)\C=C/C(C)c1cnc(CC)[nH]1.
What is the InChIKey of 2-ethyl-5-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1H-imidazole?
The InChIKey is JAURQFNDVOVAIS-YKFSIMETSA-N. The full InChI is InChI=1S/C13H19FN2/c1-4-6-11(14)8-7-10(3)12-9-15-13(5-2)16-12/h6-10H,4-5H2,1-3H3,(H,15,16)/b8-7-,11-6+.
What are the key properties of 2-ethyl-5-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1H-imidazole?
2-ethyl-5-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1H-imidazole has a molecular weight of 222.31 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1H-imidazole is sourced from PubChem (CID 142825959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).