1-(1-bromooctyl)-2-ethenylimidazole

C13H21BrN2 — CID 175436920

IUPAC1-(1-bromooctyl)-2-ethenylimidazole
SMILESC=Cc1nccn1C(Br)CCCCCCC
InChIInChI=1S/C13H21BrN2/c1-3-5-6-7-8-9-12(14)16-11-10-15-13(16)4-2/h4,10-12H,2-3,5-9H2,1H3
InChIKeyWYVAKMWYANGOPI-UHFFFAOYSA-N
MW285.23 g/mol
LogP4.78
Rot. Bonds8

About 1-(1-bromooctyl)-2-ethenylimidazole

1-(1-bromooctyl)-2-ethenylimidazole (PubChem CID 175436920) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-(1-bromooctyl)-2-ethenylimidazole.

Molecular Properties

Compound Name1-(1-bromooctyl)-2-ethenylimidazole
PubChem CID175436920
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name1-(1-bromooctyl)-2-ethenylimidazole
SMILESC=Cc1nccn1C(Br)CCCCCCC
InChIInChI=1S/C13H21BrN2/c1-3-5-6-7-8-9-12(14)16-11-10-15-13(16)4-2/h4,10-12H,2-3,5-9H2,1H3
InChIKeyWYVAKMWYANGOPI-UHFFFAOYSA-N
XLogP4.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 69408274
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2-(2-methyloctan-3-yl)-1-undecan-2-ylimidazole
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2-heptacosan-9-yl-1-propan-2-ylimidazole
CID 69405884
N-methyl-1-octan-2-ylimidazol-2-amine
CID 106564926
1-nonadecan-2-yl-2-triacontan-12-ylimidazole
CID 69403792
1-nonadecan-2-yl-2-tridecan-2-ylimidazole
CID 69408935
2-nonacosan-15-yl-1-octan-2-ylimidazole
CID 69409721
1-octadecan-2-yl-2-pentacosan-13-ylimidazole
CID 69406789
2-nonacosan-12-yl-1-octadecan-2-ylimidazole
CID 69409675
2-docosan-10-yl-1-nonan-2-ylimidazole
CID 69405990
1-hexadecan-2-yl-2-pentacosan-10-ylimidazole
CID 69408468

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromooctyl)-2-ethenylimidazole?
The IUPAC name of 1-(1-bromooctyl)-2-ethenylimidazole (CID 175436920) is 1-(1-bromooctyl)-2-ethenylimidazole.
What is the SMILES notation for 1-(1-bromooctyl)-2-ethenylimidazole?
The canonical SMILES for 1-(1-bromooctyl)-2-ethenylimidazole is C=Cc1nccn1C(Br)CCCCCCC.
What is the InChIKey of 1-(1-bromooctyl)-2-ethenylimidazole?
The InChIKey is WYVAKMWYANGOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-3-5-6-7-8-9-12(14)16-11-10-15-13(16)4-2/h4,10-12H,2-3,5-9H2,1H3.
What are the key properties of 1-(1-bromooctyl)-2-ethenylimidazole?
1-(1-bromooctyl)-2-ethenylimidazole has a molecular weight of 285.23 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromooctyl)-2-ethenylimidazole is sourced from PubChem (CID 175436920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).