2-ethyl-4-methyl-1H-imidazol-1-ium bromide

C6H11BrN2 — CID 67927808

IUPAC2-ethyl-4-methyl-1H-imidazol-1-ium bromide
SMILESCCC1=NC(C)=C[NH2+]1.[Br-]
InChIInChI=1S/C6H10N2.BrH/c1-3-6-7-4-5(2)8-6;/h4H,3H2,1-2H3,(H,7,8);1H
InChIKeyKOLGWETWPTXLLR-UHFFFAOYSA-N
MW191.07 g/mol
LogP-2.76
Rot. Bonds1

About 2-ethyl-4-methyl-1H-imidazol-1-ium bromide

2-ethyl-4-methyl-1H-imidazol-1-ium bromide (PubChem CID 67927808) has the molecular formula C6H11BrN2 and a molecular weight of 191.07 g/mol. Its IUPAC name is 2-ethyl-4-methyl-1H-imidazol-1-ium bromide.

Molecular Properties

Compound Name2-ethyl-4-methyl-1H-imidazol-1-ium bromide
PubChem CID67927808
Molecular FormulaC6H11BrN2
Molecular Weight191.07 g/mol
Exact Mass190.01
IUPAC Name2-ethyl-4-methyl-1H-imidazol-1-ium bromide
SMILESCCC1=NC(C)=C[NH2+]1.[Br-]
InChIInChI=1S/C6H10N2.BrH/c1-3-6-7-4-5(2)8-6;/h4H,3H2,1-2H3,(H,7,8);1H
InChIKeyKOLGWETWPTXLLR-UHFFFAOYSA-N
XLogP-2.76
TPSA28.97 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 ≤ 5-2.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-4-methyl-1H-imidazol-1-ium
CID 21549851
2-ethyl-1-methyl-1H-imidazol-1-ium bromide
CID 66639976
2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide
CID 66764410
3-(1-methyl-1H-imidazol-1-ium-2-yl)propan-1-amine bromide
CID 66882482
2,4-dimethyl-1H-imidazol-1-ium chloride
CID 67915380
1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium
CID 87342972
1-methanidyl-2,4-dimethyl-1H-imidazol-1-ium
CID 87342975
N-[(E)-2-amino-3-iodoprop-1-enyl]-N'-methylethanimidamide
CID 89843205
2-Methyl-1,4-dihydropyrimidin-5-amine
CID 132150681
N-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide
CID 134365968
N'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide
CID 134366012
N-methyl-1,3-dihydropyrrol-2-imine
CID 135829641

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-1H-imidazol-1-ium bromide?
The IUPAC name of 2-ethyl-4-methyl-1H-imidazol-1-ium bromide (CID 67927808) is 2-ethyl-4-methyl-1H-imidazol-1-ium bromide.
What is the SMILES notation for 2-ethyl-4-methyl-1H-imidazol-1-ium bromide?
The canonical SMILES for 2-ethyl-4-methyl-1H-imidazol-1-ium bromide is CCC1=NC(C)=C[NH2+]1.[Br-].
What is the InChIKey of 2-ethyl-4-methyl-1H-imidazol-1-ium bromide?
The InChIKey is KOLGWETWPTXLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.BrH/c1-3-6-7-4-5(2)8-6;/h4H,3H2,1-2H3,(H,7,8);1H.
What are the key properties of 2-ethyl-4-methyl-1H-imidazol-1-ium bromide?
2-ethyl-4-methyl-1H-imidazol-1-ium bromide has a molecular weight of 191.07 g/mol, XLogP of -2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-1H-imidazol-1-ium bromide is sourced from PubChem (CID 67927808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).