1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide

C6H11BrN2O — CID 174844241

IUPAC1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide
SMILESBr.CC(=O)N1C=CN(C)C1
InChIInChI=1S/C6H10N2O.BrH/c1-6(9)8-4-3-7(2)5-8;/h3-4H,5H2,1-2H3;1H
InChIKeyJYLUPCSHEPLYRR-UHFFFAOYSA-N
MW207.07 g/mol
LogP0.79
Rot. Bonds

About 1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide

1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide (PubChem CID 174844241) has the molecular formula C6H11BrN2O and a molecular weight of 207.07 g/mol. Its IUPAC name is 1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide.

Molecular Properties

Compound Name1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide
PubChem CID174844241
Molecular FormulaC6H11BrN2O
Molecular Weight207.07 g/mol
Exact Mass206.01
IUPAC Name1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide
SMILESBr.CC(=O)N1C=CN(C)C1
InChIInChI=1S/C6H10N2O.BrH/c1-6(9)8-4-3-7(2)5-8;/h3-4H,5H2,1-2H3;1H
InChIKeyJYLUPCSHEPLYRR-UHFFFAOYSA-N
XLogP0.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide?
The IUPAC name of 1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide (CID 174844241) is 1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide.
What is the SMILES notation for 1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide?
The canonical SMILES for 1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide is Br.CC(=O)N1C=CN(C)C1.
What is the InChIKey of 1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide?
The InChIKey is JYLUPCSHEPLYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.BrH/c1-6(9)8-4-3-7(2)5-8;/h3-4H,5H2,1-2H3;1H.
What are the key properties of 1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide?
1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide has a molecular weight of 207.07 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide is sourced from PubChem (CID 174844241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).