2-ethenyl-1H-imidazole;hydrochloride

C5H7ClN2 — CID 70347627

IUPAC2-ethenyl-1H-imidazole;hydrochloride
SMILESC=Cc1ncc[nH]1.Cl
InChIInChI=1S/C5H6N2.ClH/c1-2-5-6-3-4-7-5;/h2-4H,1H2,(H,6,7);1H
InChIKeyGUEBVLHWOCAUCO-UHFFFAOYSA-N
MW130.58 g/mol
LogP1.47
Rot. Bonds1

About 2-ethenyl-1H-imidazole;hydrochloride

2-ethenyl-1H-imidazole;hydrochloride (PubChem CID 70347627) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 2-ethenyl-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-ethenyl-1H-imidazole;hydrochloride
PubChem CID70347627
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name2-ethenyl-1H-imidazole;hydrochloride
SMILESC=Cc1ncc[nH]1.Cl
InChIInChI=1S/C5H6N2.ClH/c1-2-5-6-3-4-7-5;/h2-4H,1H2,(H,6,7);1H
InChIKeyGUEBVLHWOCAUCO-UHFFFAOYSA-N
XLogP1.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1H-imidazole;hydrochloride?
The IUPAC name of 2-ethenyl-1H-imidazole;hydrochloride (CID 70347627) is 2-ethenyl-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-ethenyl-1H-imidazole;hydrochloride?
The canonical SMILES for 2-ethenyl-1H-imidazole;hydrochloride is C=Cc1ncc[nH]1.Cl.
What is the InChIKey of 2-ethenyl-1H-imidazole;hydrochloride?
The InChIKey is GUEBVLHWOCAUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.ClH/c1-2-5-6-3-4-7-5;/h2-4H,1H2,(H,6,7);1H.
What are the key properties of 2-ethenyl-1H-imidazole;hydrochloride?
2-ethenyl-1H-imidazole;hydrochloride has a molecular weight of 130.58 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1H-imidazole;hydrochloride is sourced from PubChem (CID 70347627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).