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

C6H11ClN2O — CID 173453785

IUPAC1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrochloride
SMILESCC(=O)N1C=CN(C)C1.Cl
InChIInChI=1S/C6H10N2O.ClH/c1-6(9)8-4-3-7(2)5-8;/h3-4H,5H2,1-2H3;1H
InChIKeyYETFLRLJMPFGHZ-UHFFFAOYSA-N
MW162.62 g/mol
LogP0.63
Rot. Bonds

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

1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrochloride (PubChem CID 173453785) has the molecular formula C6H11ClN2O and a molecular weight of 162.62 g/mol. Its IUPAC name is 1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrochloride
PubChem CID173453785
Molecular FormulaC6H11ClN2O
Molecular Weight162.62 g/mol
Exact Mass162.06
IUPAC Name1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrochloride
SMILESCC(=O)N1C=CN(C)C1.Cl
InChIInChI=1S/C6H10N2O.ClH/c1-6(9)8-4-3-7(2)5-8;/h3-4H,5H2,1-2H3;1H
InChIKeyYETFLRLJMPFGHZ-UHFFFAOYSA-N
XLogP0.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 50.63
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;hydrochloride?
The IUPAC name of 1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrochloride (CID 173453785) is 1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrochloride is CC(=O)N1C=CN(C)C1.Cl.
What is the InChIKey of 1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrochloride?
The InChIKey is YETFLRLJMPFGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.ClH/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;hydrochloride?
1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of 0.63, 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;hydrochloride is sourced from PubChem (CID 173453785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).