1-bromo-4-[(E)-dec-1-enyl]-2-methylimidazole

C14H23BrN2 — CID 168868603

IUPAC1-bromo-4-[(E)-dec-1-enyl]-2-methylimidazole
SMILESCCCCCCCC/C=C/c1cn(Br)c(C)n1
InChIInChI=1S/C14H23BrN2/c1-3-4-5-6-7-8-9-10-11-14-12-17(15)13(2)16-14/h10-12H,3-9H2,1-2H3/b11-10+
InChIKeyBVTWRWHISFGFQN-ZHACJKMWSA-N
MW299.26 g/mol
LogP5.11
Rot. Bonds8

About 1-bromo-4-[(E)-dec-1-enyl]-2-methylimidazole

1-bromo-4-[(E)-dec-1-enyl]-2-methylimidazole (PubChem CID 168868603) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 1-bromo-4-[(E)-dec-1-enyl]-2-methylimidazole.

Molecular Properties

Compound Name1-bromo-4-[(E)-dec-1-enyl]-2-methylimidazole
PubChem CID168868603
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name1-bromo-4-[(E)-dec-1-enyl]-2-methylimidazole
SMILESCCCCCCCC/C=C/c1cn(Br)c(C)n1
InChIInChI=1S/C14H23BrN2/c1-3-4-5-6-7-8-9-10-11-14-12-17(15)13(2)16-14/h10-12H,3-9H2,1-2H3/b11-10+
InChIKeyBVTWRWHISFGFQN-ZHACJKMWSA-N
XLogP5.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.26
LogP ≤ 55.11
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

2-[(E)-dodec-1-enyl]pyridine
CID 166438666
3-bromo-6-[5-bromo-6-[(E)-tridec-1-enyl]-2-pyridinyl]-2-[(E)-tridec-1-enyl]pyridine
CID 132511935
1,2,4-trimethyl-3-oct-1-enylbenzene
CID 150667765
2-methyl-1-octadec-9-enylimidazole
CID 54514402
3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine
CID 70694935
1,4-dibromo-2,5-bis(dodec-1-enyl)benzene
CID 67418150
3-hept-1-enyl-1,2,4,5-tetramethylbenzene
CID 173045818
2-methyl-4-[(E)-tetradec-1-enyl]furan
CID 91799260
1,2,3-trimethyl-4-oct-1-enylbenzene
CID 173045984
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178
hexacont-21-ene
CID 54293076

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-dec-1-enyl]-2-methylimidazole?
The IUPAC name of 1-bromo-4-[(E)-dec-1-enyl]-2-methylimidazole (CID 168868603) is 1-bromo-4-[(E)-dec-1-enyl]-2-methylimidazole.
What is the SMILES notation for 1-bromo-4-[(E)-dec-1-enyl]-2-methylimidazole?
The canonical SMILES for 1-bromo-4-[(E)-dec-1-enyl]-2-methylimidazole is CCCCCCCC/C=C/c1cn(Br)c(C)n1.
What is the InChIKey of 1-bromo-4-[(E)-dec-1-enyl]-2-methylimidazole?
The InChIKey is BVTWRWHISFGFQN-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-3-4-5-6-7-8-9-10-11-14-12-17(15)13(2)16-14/h10-12H,3-9H2,1-2H3/b11-10+.
What are the key properties of 1-bromo-4-[(E)-dec-1-enyl]-2-methylimidazole?
1-bromo-4-[(E)-dec-1-enyl]-2-methylimidazole has a molecular weight of 299.26 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-dec-1-enyl]-2-methylimidazole is sourced from PubChem (CID 168868603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).