1-ethyl-2-octadec-9-enylimidazole

C23H42N2 — CID 69003523

IUPAC1-ethyl-2-octadec-9-enylimidazole
SMILESCCCCCCCCC=CCCCCCCCCc1nccn1CC
InChIInChI=1S/C23H42N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24-21-22-25(23)4-2/h11-12,21-22H,3-10,13-20H2,1-2H3
InChIKeyQZXXUUIYRIMFMN-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.48
Rot. Bonds17

About 1-ethyl-2-octadec-9-enylimidazole

1-ethyl-2-octadec-9-enylimidazole (PubChem CID 69003523) has the molecular formula C23H42N2 and a molecular weight of 346.60 g/mol. Its IUPAC name is 1-ethyl-2-octadec-9-enylimidazole.

Molecular Properties

Compound Name1-ethyl-2-octadec-9-enylimidazole
PubChem CID69003523
Molecular FormulaC23H42N2
Molecular Weight346.60 g/mol
Exact Mass346.33
IUPAC Name1-ethyl-2-octadec-9-enylimidazole
SMILESCCCCCCCCC=CCCCCCCCCc1nccn1CC
InChIInChI=1S/C23H42N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24-21-22-25(23)4-2/h11-12,21-22H,3-10,13-20H2,1-2H3
InChIKeyQZXXUUIYRIMFMN-UHFFFAOYSA-N
XLogP7.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-octadec-9-enylimidazole?
The IUPAC name of 1-ethyl-2-octadec-9-enylimidazole (CID 69003523) is 1-ethyl-2-octadec-9-enylimidazole.
What is the SMILES notation for 1-ethyl-2-octadec-9-enylimidazole?
The canonical SMILES for 1-ethyl-2-octadec-9-enylimidazole is CCCCCCCCC=CCCCCCCCCc1nccn1CC.
What is the InChIKey of 1-ethyl-2-octadec-9-enylimidazole?
The InChIKey is QZXXUUIYRIMFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24-21-22-25(23)4-2/h11-12,21-22H,3-10,13-20H2,1-2H3.
What are the key properties of 1-ethyl-2-octadec-9-enylimidazole?
1-ethyl-2-octadec-9-enylimidazole has a molecular weight of 346.60 g/mol, XLogP of 7.48, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-octadec-9-enylimidazole is sourced from PubChem (CID 69003523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).