1,6-dibromohexane;1-methylimidazole

C10H18Br2N2 — CID 174663744

IUPAC1,6-dibromohexane;1-methylimidazole
SMILESBrCCCCCCBr.Cn1ccnc1
InChIInChI=1S/C6H12Br2.C4H6N2/c7-5-3-1-2-4-6-8;1-6-3-2-5-4-6/h1-6H2;2-4H,1H3
InChIKeyQZXRJVHNBZSBQH-UHFFFAOYSA-N
MW326.08 g/mol
LogP3.76
Rot. Bonds5

About 1,6-dibromohexane;1-methylimidazole

1,6-dibromohexane;1-methylimidazole (PubChem CID 174663744) has the molecular formula C10H18Br2N2 and a molecular weight of 326.08 g/mol. Its IUPAC name is 1,6-dibromohexane;1-methylimidazole.

Molecular Properties

Compound Name1,6-dibromohexane;1-methylimidazole
PubChem CID174663744
Molecular FormulaC10H18Br2N2
Molecular Weight326.08 g/mol
Exact Mass323.98
IUPAC Name1,6-dibromohexane;1-methylimidazole
SMILESBrCCCCCCBr.Cn1ccnc1
InChIInChI=1S/C6H12Br2.C4H6N2/c7-5-3-1-2-4-6-8;1-6-3-2-5-4-6/h1-6H2;2-4H,1H3
InChIKeyQZXRJVHNBZSBQH-UHFFFAOYSA-N
XLogP3.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.08
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of 1,6-dibromohexane;1-methylimidazole?
The IUPAC name of 1,6-dibromohexane;1-methylimidazole (CID 174663744) is 1,6-dibromohexane;1-methylimidazole.
What is the SMILES notation for 1,6-dibromohexane;1-methylimidazole?
The canonical SMILES for 1,6-dibromohexane;1-methylimidazole is BrCCCCCCBr.Cn1ccnc1.
What is the InChIKey of 1,6-dibromohexane;1-methylimidazole?
The InChIKey is QZXRJVHNBZSBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Br2.C4H6N2/c7-5-3-1-2-4-6-8;1-6-3-2-5-4-6/h1-6H2;2-4H,1H3.
What are the key properties of 1,6-dibromohexane;1-methylimidazole?
1,6-dibromohexane;1-methylimidazole has a molecular weight of 326.08 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dibromohexane;1-methylimidazole is sourced from PubChem (CID 174663744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).