acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride

C8H17ClN2O2 — CID 172844057

IUPACacetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride
SMILESCC(=O)O.CCN1C=CN(C)C1.Cl
InChIInChI=1S/C6H12N2.C2H4O2.ClH/c1-3-8-5-4-7(2)6-8;1-2(3)4;/h4-5H,3,6H2,1-2H3;1H3,(H,3,4);1H
InChIKeyXEHYLVKMOHZKEL-UHFFFAOYSA-N
MW208.69 g/mol
LogP1.20
Rot. Bonds1

About acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride

acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride (PubChem CID 172844057) has the molecular formula C8H17ClN2O2 and a molecular weight of 208.69 g/mol. Its IUPAC name is acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride.

Molecular Properties

Compound Nameacetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride
PubChem CID172844057
Molecular FormulaC8H17ClN2O2
Molecular Weight208.69 g/mol
Exact Mass208.10
IUPAC Nameacetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride
SMILESCC(=O)O.CCN1C=CN(C)C1.Cl
InChIInChI=1S/C6H12N2.C2H4O2.ClH/c1-3-8-5-4-7(2)6-8;1-2(3)4;/h4-5H,3,6H2,1-2H3;1H3,(H,3,4);1H
InChIKeyXEHYLVKMOHZKEL-UHFFFAOYSA-N
XLogP1.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane)
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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride?
The IUPAC name of acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride (CID 172844057) is acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride.
What is the SMILES notation for acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride?
The canonical SMILES for acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride is CC(=O)O.CCN1C=CN(C)C1.Cl.
What is the InChIKey of acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride?
The InChIKey is XEHYLVKMOHZKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.C2H4O2.ClH/c1-3-8-5-4-7(2)6-8;1-2(3)4;/h4-5H,3,6H2,1-2H3;1H3,(H,3,4);1H.
What are the key properties of acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride?
acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride is sourced from PubChem (CID 172844057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).