2-ethenyl-1-methylimidazole;hydrochloride

C6H9ClN2 — CID 55254361

IUPAC2-ethenyl-1-methylimidazole;hydrochloride
SMILESC=Cc1nccn1C.Cl
InChIInChI=1S/C6H8N2.ClH/c1-3-6-7-4-5-8(6)2;/h3-5H,1H2,2H3;1H
InChIKeyYWHLRBWYDVJXHU-UHFFFAOYSA-N
MW144.60 g/mol
LogP1.48
Rot. Bonds1

About 2-ethenyl-1-methylimidazole;hydrochloride

2-ethenyl-1-methylimidazole;hydrochloride (PubChem CID 55254361) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is 2-ethenyl-1-methylimidazole;hydrochloride.

Molecular Properties

Compound Name2-ethenyl-1-methylimidazole;hydrochloride
PubChem CID55254361
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name2-ethenyl-1-methylimidazole;hydrochloride
SMILESC=Cc1nccn1C.Cl
InChIInChI=1S/C6H8N2.ClH/c1-3-6-7-4-5-8(6)2;/h3-5H,1H2,2H3;1H
InChIKeyYWHLRBWYDVJXHU-UHFFFAOYSA-N
XLogP1.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-methylimidazole;hydrochloride?
The IUPAC name of 2-ethenyl-1-methylimidazole;hydrochloride (CID 55254361) is 2-ethenyl-1-methylimidazole;hydrochloride.
What is the SMILES notation for 2-ethenyl-1-methylimidazole;hydrochloride?
The canonical SMILES for 2-ethenyl-1-methylimidazole;hydrochloride is C=Cc1nccn1C.Cl.
What is the InChIKey of 2-ethenyl-1-methylimidazole;hydrochloride?
The InChIKey is YWHLRBWYDVJXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.ClH/c1-3-6-7-4-5-8(6)2;/h3-5H,1H2,2H3;1H.
What are the key properties of 2-ethenyl-1-methylimidazole;hydrochloride?
2-ethenyl-1-methylimidazole;hydrochloride has a molecular weight of 144.60 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methylimidazole;hydrochloride is sourced from PubChem (CID 55254361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).