1-butyl-4-ethyl-1H-imidazol-1-ium bromide

C9H17BrN2 — CID 118093705

IUPAC1-butyl-4-ethyl-1H-imidazol-1-ium bromide
SMILESCCCC[NH+]1C=NC(CC)=C1.[Br-]
InChIInChI=1S/C9H16N2.BrH/c1-3-5-6-11-7-9(4-2)10-8-11;/h7-8H,3-6H2,1-2H3;1H
InChIKeyRJFBWUWQRQYQPP-UHFFFAOYSA-N
MW233.15 g/mol
LogP-2.03
Rot. Bonds4

About 1-butyl-4-ethyl-1H-imidazol-1-ium bromide

1-butyl-4-ethyl-1H-imidazol-1-ium bromide (PubChem CID 118093705) has the molecular formula C9H17BrN2 and a molecular weight of 233.15 g/mol. Its IUPAC name is 1-butyl-4-ethyl-1H-imidazol-1-ium bromide.

Molecular Properties

Compound Name1-butyl-4-ethyl-1H-imidazol-1-ium bromide
PubChem CID118093705
Molecular FormulaC9H17BrN2
Molecular Weight233.15 g/mol
Exact Mass232.06
IUPAC Name1-butyl-4-ethyl-1H-imidazol-1-ium bromide
SMILESCCCC[NH+]1C=NC(CC)=C1.[Br-]
InChIInChI=1S/C9H16N2.BrH/c1-3-5-6-11-7-9(4-2)10-8-11;/h7-8H,3-6H2,1-2H3;1H
InChIKeyRJFBWUWQRQYQPP-UHFFFAOYSA-N
XLogP-2.03
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 5-2.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,5-trimethyl-1H-imidazole-1,3-diium
CID 58187923
5-(2,2-dimethylpropyl)-1H-imidazole-1,3-diium
CID 58443705
[(2R)-1-(1H-imidazol-1-ium-5-yl)propan-2-yl]azanium
CID 60105779
1-butyl-4-dodecyl-1H-imidazol-1-ium bromide
CID 118093701
1-butyl-4-hexyl-1H-imidazol-1-ium bromide
CID 118093706
N'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide
CID 143220525
N-but-1-en-2-yl-N'-ethylmethanimidamide
CID 146389350
5-propan-2-yl-1H-imidazol-1-ium
CID 152776940
4-methyl-1-propyl-1H-imidazol-1-ium
CID 154063094
1,4-dibutyl-1H-imidazol-1-ium
CID 154128738
1-hexyl-4-methyl-1H-imidazol-1-ium
CID 154168928
1-butyl-4-methyl-1H-imidazol-1-ium chloride
CID 161535658

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-ethyl-1H-imidazol-1-ium bromide?
The IUPAC name of 1-butyl-4-ethyl-1H-imidazol-1-ium bromide (CID 118093705) is 1-butyl-4-ethyl-1H-imidazol-1-ium bromide.
What is the SMILES notation for 1-butyl-4-ethyl-1H-imidazol-1-ium bromide?
The canonical SMILES for 1-butyl-4-ethyl-1H-imidazol-1-ium bromide is CCCC[NH+]1C=NC(CC)=C1.[Br-].
What is the InChIKey of 1-butyl-4-ethyl-1H-imidazol-1-ium bromide?
The InChIKey is RJFBWUWQRQYQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.BrH/c1-3-5-6-11-7-9(4-2)10-8-11;/h7-8H,3-6H2,1-2H3;1H.
What are the key properties of 1-butyl-4-ethyl-1H-imidazol-1-ium bromide?
1-butyl-4-ethyl-1H-imidazol-1-ium bromide has a molecular weight of 233.15 g/mol, XLogP of -2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-ethyl-1H-imidazol-1-ium bromide is sourced from PubChem (CID 118093705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).