ethyl 2-(1H-imidazol-5-yl)acetate;hydrochloride

C7H11ClN2O2 — CID 13190585

IUPACethyl 2-(1H-imidazol-5-yl)acetate;hydrochloride
SMILESCCOC(=O)Cc1cnc[nH]1.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-2-11-7(10)3-6-4-8-5-9-6;/h4-5H,2-3H2,1H3,(H,8,9);1H
InChIKeyMTROFKHQFRBVMZ-UHFFFAOYSA-N
MW190.63 g/mol
LogP0.94
Rot. Bonds3

About ethyl 2-(1H-imidazol-5-yl)acetate;hydrochloride

ethyl 2-(1H-imidazol-5-yl)acetate;hydrochloride (PubChem CID 13190585) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is ethyl 2-(1H-imidazol-5-yl)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(1H-imidazol-5-yl)acetate;hydrochloride
PubChem CID13190585
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Nameethyl 2-(1H-imidazol-5-yl)acetate;hydrochloride
SMILESCCOC(=O)Cc1cnc[nH]1.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-2-11-7(10)3-6-4-8-5-9-6;/h4-5H,2-3H2,1H3,(H,8,9);1H
InChIKeyMTROFKHQFRBVMZ-UHFFFAOYSA-N
XLogP0.94
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1H-imidazol-5-yl)acetate;hydrochloride?
The IUPAC name of ethyl 2-(1H-imidazol-5-yl)acetate;hydrochloride (CID 13190585) is ethyl 2-(1H-imidazol-5-yl)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(1H-imidazol-5-yl)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(1H-imidazol-5-yl)acetate;hydrochloride is CCOC(=O)Cc1cnc[nH]1.Cl.
What is the InChIKey of ethyl 2-(1H-imidazol-5-yl)acetate;hydrochloride?
The InChIKey is MTROFKHQFRBVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.ClH/c1-2-11-7(10)3-6-4-8-5-9-6;/h4-5H,2-3H2,1H3,(H,8,9);1H.
What are the key properties of ethyl 2-(1H-imidazol-5-yl)acetate;hydrochloride?
ethyl 2-(1H-imidazol-5-yl)acetate;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1H-imidazol-5-yl)acetate;hydrochloride is sourced from PubChem (CID 13190585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).