1-ethenyl-3-hexadecyl-2H-imidazole

C21H40N2 — CID 71354109

IUPAC1-ethenyl-3-hexadecyl-2H-imidazole
SMILESC=CN1C=CN(CCCCCCCCCCCCCCCC)C1
InChIInChI=1S/C21H40N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-19-22(4-2)21-23/h4,19-20H,2-3,5-18,21H2,1H3
InChIKeyDNUHFLUTHHFRAT-UHFFFAOYSA-N
MW320.56 g/mol
LogP6.66
Rot. Bonds16

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

1-ethenyl-3-hexadecyl-2H-imidazole (PubChem CID 71354109) has the molecular formula C21H40N2 and a molecular weight of 320.56 g/mol. Its IUPAC name is 1-ethenyl-3-hexadecyl-2H-imidazole.

Molecular Properties

Compound Name1-ethenyl-3-hexadecyl-2H-imidazole
PubChem CID71354109
Molecular FormulaC21H40N2
Molecular Weight320.56 g/mol
Exact Mass320.32
IUPAC Name1-ethenyl-3-hexadecyl-2H-imidazole
SMILESC=CN1C=CN(CCCCCCCCCCCCCCCC)C1
InChIInChI=1S/C21H40N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-19-22(4-2)21-23/h4,19-20H,2-3,5-18,21H2,1H3
InChIKeyDNUHFLUTHHFRAT-UHFFFAOYSA-N
XLogP6.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.56
LogP ≤ 56.66
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-hexadecyl-2H-imidazole?
The IUPAC name of 1-ethenyl-3-hexadecyl-2H-imidazole (CID 71354109) is 1-ethenyl-3-hexadecyl-2H-imidazole.
What is the SMILES notation for 1-ethenyl-3-hexadecyl-2H-imidazole?
The canonical SMILES for 1-ethenyl-3-hexadecyl-2H-imidazole is C=CN1C=CN(CCCCCCCCCCCCCCCC)C1.
What is the InChIKey of 1-ethenyl-3-hexadecyl-2H-imidazole?
The InChIKey is DNUHFLUTHHFRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-19-22(4-2)21-23/h4,19-20H,2-3,5-18,21H2,1H3.
What are the key properties of 1-ethenyl-3-hexadecyl-2H-imidazole?
1-ethenyl-3-hexadecyl-2H-imidazole has a molecular weight of 320.56 g/mol, XLogP of 6.66, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-hexadecyl-2H-imidazole is sourced from PubChem (CID 71354109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).