2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol bromide

C6H13BrN2O — CID 71331688

IUPAC2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol bromide
SMILESCN1C=C[NH+](CCO)C1.[Br-]
InChIInChI=1S/C6H12N2O.BrH/c1-7-2-3-8(6-7)4-5-9;/h2-3,9H,4-6H2,1H3;1H
InChIKeyFMMGYCUEIGIEOV-UHFFFAOYSA-N
MW209.09 g/mol
LogP-4.76
Rot. Bonds2

About 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol bromide

2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol bromide (PubChem CID 71331688) has the molecular formula C6H13BrN2O and a molecular weight of 209.09 g/mol. Its IUPAC name is 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol bromide.

Molecular Properties

Compound Name2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol bromide
PubChem CID71331688
Molecular FormulaC6H13BrN2O
Molecular Weight209.09 g/mol
Exact Mass208.02
IUPAC Name2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol bromide
SMILESCN1C=C[NH+](CCO)C1.[Br-]
InChIInChI=1S/C6H12N2O.BrH/c1-7-2-3-8(6-7)4-5-9;/h2-3,9H,4-6H2,1H3;1H
InChIKeyFMMGYCUEIGIEOV-UHFFFAOYSA-N
XLogP-4.76
TPSA27.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.09
LogP ≤ 5-4.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol bromide?
The IUPAC name of 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol bromide (CID 71331688) is 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol bromide.
What is the SMILES notation for 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol bromide?
The canonical SMILES for 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol bromide is CN1C=C[NH+](CCO)C1.[Br-].
What is the InChIKey of 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol bromide?
The InChIKey is FMMGYCUEIGIEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.BrH/c1-7-2-3-8(6-7)4-5-9;/h2-3,9H,4-6H2,1H3;1H.
What are the key properties of 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol bromide?
2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol bromide has a molecular weight of 209.09 g/mol, XLogP of -4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol bromide is sourced from PubChem (CID 71331688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).