1-dodecyl-3-ethenyl-2H-imidazole

C17H32N2 — CID 57148897

IUPAC1-dodecyl-3-ethenyl-2H-imidazole
SMILESC=CN1C=CN(CCCCCCCCCCCC)C1
InChIInChI=1S/C17H32N2/c1-3-5-6-7-8-9-10-11-12-13-14-19-16-15-18(4-2)17-19/h4,15-16H,2-3,5-14,17H2,1H3
InChIKeyZORCBYQJTKBKKD-UHFFFAOYSA-N
MW264.46 g/mol
LogP5.10
Rot. Bonds12

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

1-dodecyl-3-ethenyl-2H-imidazole (PubChem CID 57148897) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-dodecyl-3-ethenyl-2H-imidazole.

Molecular Properties

Compound Name1-dodecyl-3-ethenyl-2H-imidazole
PubChem CID57148897
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-dodecyl-3-ethenyl-2H-imidazole
SMILESC=CN1C=CN(CCCCCCCCCCCC)C1
InChIInChI=1S/C17H32N2/c1-3-5-6-7-8-9-10-11-12-13-14-19-16-15-18(4-2)17-19/h4,15-16H,2-3,5-14,17H2,1H3
InChIKeyZORCBYQJTKBKKD-UHFFFAOYSA-N
XLogP5.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 55.10
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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Related Compounds

1-Methyl-3-octylimidazolium bromide
CID 60196376
1-Hexyl-3-methylimidazole
CID 18513318
1-Octyl-3-methyl imidazole
CID 21321822
1-Pentyl-3-methylimidazole
CID 19604648
1-methyl-3-nonyl-2H-imidazole
CID 17865358
1-heptyl-3-methyl-2H-imidazole
CID 17865360
1-methyl-3-octadecyl-2H-imidazole
CID 18183998
1-Decyl-3-methylimidazole
CID 18513308
1-Hexadecyl-3-methylimidazole
CID 18513310
1-Dodecyl-3-methylimidazole
CID 18513314
1-ethenyl-3-octadecyl-2H-imidazole
CID 18679097
1,2-Dimethyl-3 decylimidazole
CID 21567448

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-3-ethenyl-2H-imidazole?
The IUPAC name of 1-dodecyl-3-ethenyl-2H-imidazole (CID 57148897) is 1-dodecyl-3-ethenyl-2H-imidazole.
What is the SMILES notation for 1-dodecyl-3-ethenyl-2H-imidazole?
The canonical SMILES for 1-dodecyl-3-ethenyl-2H-imidazole is C=CN1C=CN(CCCCCCCCCCCC)C1.
What is the InChIKey of 1-dodecyl-3-ethenyl-2H-imidazole?
The InChIKey is ZORCBYQJTKBKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-3-5-6-7-8-9-10-11-12-13-14-19-16-15-18(4-2)17-19/h4,15-16H,2-3,5-14,17H2,1H3.
What are the key properties of 1-dodecyl-3-ethenyl-2H-imidazole?
1-dodecyl-3-ethenyl-2H-imidazole has a molecular weight of 264.46 g/mol, XLogP of 5.10, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-ethenyl-2H-imidazole is sourced from PubChem (CID 57148897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).