1-ethenyl-3-octadecyl-2H-imidazole

C23H44N2 — CID 18679097

IUPAC1-ethenyl-3-octadecyl-2H-imidazole
SMILESC=CN1C=CN(CCCCCCCCCCCCCCCCCC)C1
InChIInChI=1S/C23H44N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22-21-24(4-2)23-25/h4,21-22H,2-3,5-20,23H2,1H3
InChIKeyHQEAQQHZAMTXDK-UHFFFAOYSA-N
MW348.62 g/mol
LogP7.44
Rot. Bonds18

About 1-ethenyl-3-octadecyl-2H-imidazole

1-ethenyl-3-octadecyl-2H-imidazole (PubChem CID 18679097) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 1-ethenyl-3-octadecyl-2H-imidazole.

Molecular Properties

Compound Name1-ethenyl-3-octadecyl-2H-imidazole
PubChem CID18679097
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name1-ethenyl-3-octadecyl-2H-imidazole
SMILESC=CN1C=CN(CCCCCCCCCCCCCCCCCC)C1
InChIInChI=1S/C23H44N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22-21-24(4-2)23-25/h4,21-22H,2-3,5-20,23H2,1H3
InChIKeyHQEAQQHZAMTXDK-UHFFFAOYSA-N
XLogP7.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 57.44
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-ethenyl-3-octadecyl-2H-imidazole?
The IUPAC name of 1-ethenyl-3-octadecyl-2H-imidazole (CID 18679097) is 1-ethenyl-3-octadecyl-2H-imidazole.
What is the SMILES notation for 1-ethenyl-3-octadecyl-2H-imidazole?
The canonical SMILES for 1-ethenyl-3-octadecyl-2H-imidazole is C=CN1C=CN(CCCCCCCCCCCCCCCCCC)C1.
What is the InChIKey of 1-ethenyl-3-octadecyl-2H-imidazole?
The InChIKey is HQEAQQHZAMTXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22-21-24(4-2)23-25/h4,21-22H,2-3,5-20,23H2,1H3.
What are the key properties of 1-ethenyl-3-octadecyl-2H-imidazole?
1-ethenyl-3-octadecyl-2H-imidazole has a molecular weight of 348.62 g/mol, XLogP of 7.44, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-octadecyl-2H-imidazole is sourced from PubChem (CID 18679097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).