acetic acid;1H-imidazole;hydrochloride

C5H9ClN2O2 — CID 67336716

IUPACacetic acid;1H-imidazole;hydrochloride
SMILESCC(=O)O.Cl.c1c[nH]cn1
InChIInChI=1S/C3H4N2.C2H4O2.ClH/c1-2-5-3-4-1;1-2(3)4;/h1-3H,(H,4,5);1H3,(H,3,4);1H
InChIKeyNNXOLETUNXGFJD-UHFFFAOYSA-N
MW164.59 g/mol
LogP0.92
Rot. Bonds

About acetic acid;1H-imidazole;hydrochloride

acetic acid;1H-imidazole;hydrochloride (PubChem CID 67336716) has the molecular formula C5H9ClN2O2 and a molecular weight of 164.59 g/mol. Its IUPAC name is acetic acid;1H-imidazole;hydrochloride.

Molecular Properties

Compound Nameacetic acid;1H-imidazole;hydrochloride
PubChem CID67336716
Molecular FormulaC5H9ClN2O2
Molecular Weight164.59 g/mol
Exact Mass164.04
IUPAC Nameacetic acid;1H-imidazole;hydrochloride
SMILESCC(=O)O.Cl.c1c[nH]cn1
InChIInChI=1S/C3H4N2.C2H4O2.ClH/c1-2-5-3-4-1;1-2(3)4;/h1-3H,(H,4,5);1H3,(H,3,4);1H
InChIKeyNNXOLETUNXGFJD-UHFFFAOYSA-N
XLogP0.92
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1H-imidazole;hydrochloride?
The IUPAC name of acetic acid;1H-imidazole;hydrochloride (CID 67336716) is acetic acid;1H-imidazole;hydrochloride.
What is the SMILES notation for acetic acid;1H-imidazole;hydrochloride?
The canonical SMILES for acetic acid;1H-imidazole;hydrochloride is CC(=O)O.Cl.c1c[nH]cn1.
What is the InChIKey of acetic acid;1H-imidazole;hydrochloride?
The InChIKey is NNXOLETUNXGFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C2H4O2.ClH/c1-2-5-3-4-1;1-2(3)4;/h1-3H,(H,4,5);1H3,(H,3,4);1H.
What are the key properties of acetic acid;1H-imidazole;hydrochloride?
acetic acid;1H-imidazole;hydrochloride has a molecular weight of 164.59 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1H-imidazole;hydrochloride is sourced from PubChem (CID 67336716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).