1-octadec-9-enylimidazole

C21H38N2 — CID 54109353

IUPAC1-octadec-9-enylimidazole
SMILESCCCCCCCCC=CCCCCCCCCn1ccnc1
InChIInChI=1S/C21H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-22-21-23/h9-10,18,20-21H,2-8,11-17,19H2,1H3
InChIKeyNFZFIVFGEPAIBY-UHFFFAOYSA-N
MW318.55 g/mol
LogP6.92
Rot. Bonds16

About 1-octadec-9-enylimidazole

1-octadec-9-enylimidazole (PubChem CID 54109353) has the molecular formula C21H38N2 and a molecular weight of 318.55 g/mol. Its IUPAC name is 1-octadec-9-enylimidazole.

Molecular Properties

Compound Name1-octadec-9-enylimidazole
PubChem CID54109353
Molecular FormulaC21H38N2
Molecular Weight318.55 g/mol
Exact Mass318.30
IUPAC Name1-octadec-9-enylimidazole
SMILESCCCCCCCCC=CCCCCCCCCn1ccnc1
InChIInChI=1S/C21H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-22-21-23/h9-10,18,20-21H,2-8,11-17,19H2,1H3
InChIKeyNFZFIVFGEPAIBY-UHFFFAOYSA-N
XLogP6.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.92
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-octadec-9-enylimidazole?
The IUPAC name of 1-octadec-9-enylimidazole (CID 54109353) is 1-octadec-9-enylimidazole.
What is the SMILES notation for 1-octadec-9-enylimidazole?
The canonical SMILES for 1-octadec-9-enylimidazole is CCCCCCCCC=CCCCCCCCCn1ccnc1.
What is the InChIKey of 1-octadec-9-enylimidazole?
The InChIKey is NFZFIVFGEPAIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-22-21-23/h9-10,18,20-21H,2-8,11-17,19H2,1H3.
What are the key properties of 1-octadec-9-enylimidazole?
1-octadec-9-enylimidazole has a molecular weight of 318.55 g/mol, XLogP of 6.92, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadec-9-enylimidazole is sourced from PubChem (CID 54109353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).