1-bromodecane;1-methylimidazole

C14H27BrN2 — CID 170328654

IUPAC1-bromodecane;1-methylimidazole
SMILESCCCCCCCCCCBr.Cn1ccnc1
InChIInChI=1S/C10H21Br.C4H6N2/c1-2-3-4-5-6-7-8-9-10-11;1-6-3-2-5-4-6/h2-10H2,1H3;2-4H,1H3
InChIKeyQREUBYXHXXLMCL-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.94
Rot. Bonds8

About 1-bromodecane;1-methylimidazole

1-bromodecane;1-methylimidazole (PubChem CID 170328654) has the molecular formula C14H27BrN2 and a molecular weight of 303.29 g/mol. Its IUPAC name is 1-bromodecane;1-methylimidazole.

Molecular Properties

Compound Name1-bromodecane;1-methylimidazole
PubChem CID170328654
Molecular FormulaC14H27BrN2
Molecular Weight303.29 g/mol
Exact Mass302.14
IUPAC Name1-bromodecane;1-methylimidazole
SMILESCCCCCCCCCCBr.Cn1ccnc1
InChIInChI=1S/C10H21Br.C4H6N2/c1-2-3-4-5-6-7-8-9-10-11;1-6-3-2-5-4-6/h2-10H2,1H3;2-4H,1H3
InChIKeyQREUBYXHXXLMCL-UHFFFAOYSA-N
XLogP4.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 54.94
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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chloroethane;1-methylimidazole
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barium(2+);ethane;1-methylimidazole;difluoride
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1-methylimidazole;propan-1-amine;hydrobromide
CID 175425502
aluminum;bis(1-methylimidazole);trichloride
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hydron;1-methylimidazole
CID 67251829
1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide
CID 175335036
1-methylimidazole;1-propoxypropane
CID 158766407
ethane;1-methylimidazole;N-methylmethanamine
CID 142299276
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CID 173148040
CID 173148040

Frequently Asked Questions

What is the IUPAC name of 1-bromodecane;1-methylimidazole?
The IUPAC name of 1-bromodecane;1-methylimidazole (CID 170328654) is 1-bromodecane;1-methylimidazole.
What is the SMILES notation for 1-bromodecane;1-methylimidazole?
The canonical SMILES for 1-bromodecane;1-methylimidazole is CCCCCCCCCCBr.Cn1ccnc1.
What is the InChIKey of 1-bromodecane;1-methylimidazole?
The InChIKey is QREUBYXHXXLMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21Br.C4H6N2/c1-2-3-4-5-6-7-8-9-10-11;1-6-3-2-5-4-6/h2-10H2,1H3;2-4H,1H3.
What are the key properties of 1-bromodecane;1-methylimidazole?
1-bromodecane;1-methylimidazole has a molecular weight of 303.29 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromodecane;1-methylimidazole is sourced from PubChem (CID 170328654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).