1,2-dibutyl-1H-imidazol-1-ium bromide

C11H21BrN2 — CID 69059001

IUPAC1,2-dibutyl-1H-imidazol-1-ium bromide
SMILESCCCCC1=NC=C[NH+]1CCCC.[Br-]
InChIInChI=1S/C11H20N2.BrH/c1-3-5-7-11-12-8-10-13(11)9-6-4-2;/h8,10H,3-7,9H2,1-2H3;1H
InChIKeyQTJBUFUVRIBLJM-UHFFFAOYSA-N
MW261.21 g/mol
LogP-1.25
Rot. Bonds6

About 1,2-dibutyl-1H-imidazol-1-ium bromide

1,2-dibutyl-1H-imidazol-1-ium bromide (PubChem CID 69059001) has the molecular formula C11H21BrN2 and a molecular weight of 261.21 g/mol. Its IUPAC name is 1,2-dibutyl-1H-imidazol-1-ium bromide.

Molecular Properties

Compound Name1,2-dibutyl-1H-imidazol-1-ium bromide
PubChem CID69059001
Molecular FormulaC11H21BrN2
Molecular Weight261.21 g/mol
Exact Mass260.09
IUPAC Name1,2-dibutyl-1H-imidazol-1-ium bromide
SMILESCCCCC1=NC=C[NH+]1CCCC.[Br-]
InChIInChI=1S/C11H20N2.BrH/c1-3-5-7-11-12-8-10-13(11)9-6-4-2;/h8,10H,3-7,9H2,1-2H3;1H
InChIKeyQTJBUFUVRIBLJM-UHFFFAOYSA-N
XLogP-1.25
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-pentyl-1H-imidazol-1-ium bromide
CID 22564389
2-methyl-1-octyl-1H-imidazol-1-ium chloride
CID 66602370
1-butyl-2-methyl-1H-imidazol-1-ium chloride
CID 66619869
2-butyl-1-methyl-1H-imidazol-1-ium chloride
CID 66620565
2-butyl-1-methyl-1H-imidazol-1-ium bromide
CID 66620666
2-ethyl-1-methyl-1H-imidazol-1-ium bromide
CID 66639976
2-hexyl-1-methyl-1H-imidazol-1-ium iodide
CID 66652284
2-butyl-1-methyl-1H-imidazol-1-ium iodide
CID 66714320
3-(1-methyl-1H-imidazol-1-ium-2-yl)propan-1-amine bromide
CID 66882482
2-butyl-1-methyl-1H-imidazol-1-ium hydroxide
CID 66932678
1-butyl-2-methyl-1H-imidazol-1-ium iodide
CID 66955234
1-hexyl-2-methyl-1H-imidazol-1-ium iodide
CID 66955748

Frequently Asked Questions

What is the IUPAC name of 1,2-dibutyl-1H-imidazol-1-ium bromide?
The IUPAC name of 1,2-dibutyl-1H-imidazol-1-ium bromide (CID 69059001) is 1,2-dibutyl-1H-imidazol-1-ium bromide.
What is the SMILES notation for 1,2-dibutyl-1H-imidazol-1-ium bromide?
The canonical SMILES for 1,2-dibutyl-1H-imidazol-1-ium bromide is CCCCC1=NC=C[NH+]1CCCC.[Br-].
What is the InChIKey of 1,2-dibutyl-1H-imidazol-1-ium bromide?
The InChIKey is QTJBUFUVRIBLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.BrH/c1-3-5-7-11-12-8-10-13(11)9-6-4-2;/h8,10H,3-7,9H2,1-2H3;1H.
What are the key properties of 1,2-dibutyl-1H-imidazol-1-ium bromide?
1,2-dibutyl-1H-imidazol-1-ium bromide has a molecular weight of 261.21 g/mol, XLogP of -1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutyl-1H-imidazol-1-ium bromide is sourced from PubChem (CID 69059001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).