1-ethyl-5-methylimidazole;hydrobromide

C6H11BrN2 — CID 175481904

IUPAC1-ethyl-5-methylimidazole;hydrobromide
SMILESBr.CCn1cncc1C
InChIInChI=1S/C6H10N2.BrH/c1-3-8-5-7-4-6(8)2;/h4-5H,3H2,1-2H3;1H
InChIKeyRGAOKTSWARKPFR-UHFFFAOYSA-N
MW191.07 g/mol
LogP1.79
Rot. Bonds1

About 1-ethyl-5-methylimidazole;hydrobromide

1-ethyl-5-methylimidazole;hydrobromide (PubChem CID 175481904) has the molecular formula C6H11BrN2 and a molecular weight of 191.07 g/mol. Its IUPAC name is 1-ethyl-5-methylimidazole;hydrobromide.

Molecular Properties

Compound Name1-ethyl-5-methylimidazole;hydrobromide
PubChem CID175481904
Molecular FormulaC6H11BrN2
Molecular Weight191.07 g/mol
Exact Mass190.01
IUPAC Name1-ethyl-5-methylimidazole;hydrobromide
SMILESBr.CCn1cncc1C
InChIInChI=1S/C6H10N2.BrH/c1-3-8-5-7-4-6(8)2;/h4-5H,3H2,1-2H3;1H
InChIKeyRGAOKTSWARKPFR-UHFFFAOYSA-N
XLogP1.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methylimidazole;hydrobromide?
The IUPAC name of 1-ethyl-5-methylimidazole;hydrobromide (CID 175481904) is 1-ethyl-5-methylimidazole;hydrobromide.
What is the SMILES notation for 1-ethyl-5-methylimidazole;hydrobromide?
The canonical SMILES for 1-ethyl-5-methylimidazole;hydrobromide is Br.CCn1cncc1C.
What is the InChIKey of 1-ethyl-5-methylimidazole;hydrobromide?
The InChIKey is RGAOKTSWARKPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.BrH/c1-3-8-5-7-4-6(8)2;/h4-5H,3H2,1-2H3;1H.
What are the key properties of 1-ethyl-5-methylimidazole;hydrobromide?
1-ethyl-5-methylimidazole;hydrobromide has a molecular weight of 191.07 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methylimidazole;hydrobromide is sourced from PubChem (CID 175481904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).