2-ethyl-1-methyl-1H-imidazol-1-ium bromide

C6H11BrN2 — CID 66639976

IUPAC2-ethyl-1-methyl-1H-imidazol-1-ium bromide
SMILESCCC1=NC=C[NH+]1C.[Br-]
InChIInChI=1S/C6H10N2.BrH/c1-3-6-7-4-5-8(6)2;/h4-5H,3H2,1-2H3;1H
InChIKeyIVYKCKIFWVRWDM-UHFFFAOYSA-N
MW191.07 g/mol
LogP-3.20
Rot. Bonds1

About 2-ethyl-1-methyl-1H-imidazol-1-ium bromide

2-ethyl-1-methyl-1H-imidazol-1-ium bromide (PubChem CID 66639976) has the molecular formula C6H11BrN2 and a molecular weight of 191.07 g/mol. Its IUPAC name is 2-ethyl-1-methyl-1H-imidazol-1-ium bromide.

Molecular Properties

Compound Name2-ethyl-1-methyl-1H-imidazol-1-ium bromide
PubChem CID66639976
Molecular FormulaC6H11BrN2
Molecular Weight191.07 g/mol
Exact Mass190.01
IUPAC Name2-ethyl-1-methyl-1H-imidazol-1-ium bromide
SMILESCCC1=NC=C[NH+]1C.[Br-]
InChIInChI=1S/C6H10N2.BrH/c1-3-6-7-4-5-8(6)2;/h4-5H,3H2,1-2H3;1H
InChIKeyIVYKCKIFWVRWDM-UHFFFAOYSA-N
XLogP-3.20
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 5-3.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-Dimethylimidazolium chloride
CID 66809752
bis(trifluoromethyl)azanide;2-ethyl-1-methyl-1H-imidazol-1-ium
CID 140726615
2-methyl-1H-imidazol-1-ium
CID 19047642
2-propan-2-yl-1H-imidazol-1-ium
CID 20276869
1,2,3-trimethyl-1H-imidazole-1,3-diium
CID 20652611
3-methyl-2-[(3-methyl-1H-imidazole-1,3-diium-2-yl)methyl]-1H-imidazole-1,3-diium
CID 20776929
2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate
CID 23023232
1-methanidyl-2-methyl-1H-imidazol-1-ium
CID 57868272
1-methanidyl-2-propan-2-yl-1H-imidazol-1-ium
CID 59401491
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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-1H-imidazol-1-ium bromide?
The IUPAC name of 2-ethyl-1-methyl-1H-imidazol-1-ium bromide (CID 66639976) is 2-ethyl-1-methyl-1H-imidazol-1-ium bromide.
What is the SMILES notation for 2-ethyl-1-methyl-1H-imidazol-1-ium bromide?
The canonical SMILES for 2-ethyl-1-methyl-1H-imidazol-1-ium bromide is CCC1=NC=C[NH+]1C.[Br-].
What is the InChIKey of 2-ethyl-1-methyl-1H-imidazol-1-ium bromide?
The InChIKey is IVYKCKIFWVRWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.BrH/c1-3-6-7-4-5-8(6)2;/h4-5H,3H2,1-2H3;1H.
What are the key properties of 2-ethyl-1-methyl-1H-imidazol-1-ium bromide?
2-ethyl-1-methyl-1H-imidazol-1-ium bromide has a molecular weight of 191.07 g/mol, XLogP of -3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-1H-imidazol-1-ium bromide is sourced from PubChem (CID 66639976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).