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

C6H11BrN2 — CID 66960342

IUPAC1-ethyl-2-methyl-1H-imidazol-1-ium bromide
SMILESCC[NH+]1C=CN=C1C.[Br-]
InChIInChI=1S/C6H10N2.BrH/c1-3-8-5-4-7-6(8)2;/h4-5H,3H2,1-2H3;1H
InChIKeyZYUQRBSTGAZCKB-UHFFFAOYSA-N
MW191.07 g/mol
LogP-3.20
Rot. Bonds1

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

1-ethyl-2-methyl-1H-imidazol-1-ium bromide (PubChem CID 66960342) has the molecular formula C6H11BrN2 and a molecular weight of 191.07 g/mol. Its IUPAC name is 1-ethyl-2-methyl-1H-imidazol-1-ium bromide.

Molecular Properties

Compound Name1-ethyl-2-methyl-1H-imidazol-1-ium bromide
PubChem CID66960342
Molecular FormulaC6H11BrN2
Molecular Weight191.07 g/mol
Exact Mass190.01
IUPAC Name1-ethyl-2-methyl-1H-imidazol-1-ium bromide
SMILESCC[NH+]1C=CN=C1C.[Br-]
InChIInChI=1S/C6H10N2.BrH/c1-3-8-5-4-7-6(8)2;/h4-5H,3H2,1-2H3;1H
InChIKeyZYUQRBSTGAZCKB-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-Ethylimidazolium bromide
CID 66724526
1,2-Dimethylimidazolium chloride
CID 66809752
3-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-3-ium
CID 17821438
1-Ethyl-1,2-dimethylimidazolium bromide
CID 139210624
2-methyl-1H-imidazol-1-ium
CID 19047642
1-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-1-ium chloride
CID 20095166
1,2,3-trimethyl-1H-imidazole-1,3-diium
CID 20652611
1-ethyl-2-methyl-1H-imidazol-1-ium tetrafluoroborate
CID 23023244
1-ethyl-1H-imidazol-1-ium
CID 23288726
1-methanidyl-2-methyl-1H-imidazol-1-ium
CID 57868272
1-butyl-2-methyl-1H-imidazol-1-ium chloride
CID 66619869
2-ethyl-1-methyl-1H-imidazol-1-ium bromide
CID 66639976

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-1H-imidazol-1-ium bromide?
The IUPAC name of 1-ethyl-2-methyl-1H-imidazol-1-ium bromide (CID 66960342) is 1-ethyl-2-methyl-1H-imidazol-1-ium bromide.
What is the SMILES notation for 1-ethyl-2-methyl-1H-imidazol-1-ium bromide?
The canonical SMILES for 1-ethyl-2-methyl-1H-imidazol-1-ium bromide is CC[NH+]1C=CN=C1C.[Br-].
What is the InChIKey of 1-ethyl-2-methyl-1H-imidazol-1-ium bromide?
The InChIKey is ZYUQRBSTGAZCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.BrH/c1-3-8-5-4-7-6(8)2;/h4-5H,3H2,1-2H3;1H.
What are the key properties of 1-ethyl-2-methyl-1H-imidazol-1-ium bromide?
1-ethyl-2-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 1-ethyl-2-methyl-1H-imidazol-1-ium bromide is sourced from PubChem (CID 66960342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).