1,4-dimethylimidazole;hydrochloride

C5H9ClN2 — CID 146623882

IUPAC1,4-dimethylimidazole;hydrochloride
SMILESCc1cn(C)cn1.Cl
InChIInChI=1S/C5H8N2.ClH/c1-5-3-7(2)4-6-5;/h3-4H,1-2H3;1H
InChIKeyOMQKTXZLTVAFRJ-UHFFFAOYSA-N
MW132.59 g/mol
LogP1.15
Rot. Bonds

About 1,4-dimethylimidazole;hydrochloride

1,4-dimethylimidazole;hydrochloride (PubChem CID 146623882) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is 1,4-dimethylimidazole;hydrochloride.

Molecular Properties

Compound Name1,4-dimethylimidazole;hydrochloride
PubChem CID146623882
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name1,4-dimethylimidazole;hydrochloride
SMILESCc1cn(C)cn1.Cl
InChIInChI=1S/C5H8N2.ClH/c1-5-3-7(2)4-6-5;/h3-4H,1-2H3;1H
InChIKeyOMQKTXZLTVAFRJ-UHFFFAOYSA-N
XLogP1.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;hydrochloride?
The IUPAC name of 1,4-dimethylimidazole;hydrochloride (CID 146623882) is 1,4-dimethylimidazole;hydrochloride.
What is the SMILES notation for 1,4-dimethylimidazole;hydrochloride?
The canonical SMILES for 1,4-dimethylimidazole;hydrochloride is Cc1cn(C)cn1.Cl.
What is the InChIKey of 1,4-dimethylimidazole;hydrochloride?
The InChIKey is OMQKTXZLTVAFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.ClH/c1-5-3-7(2)4-6-5;/h3-4H,1-2H3;1H.
What are the key properties of 1,4-dimethylimidazole;hydrochloride?
1,4-dimethylimidazole;hydrochloride has a molecular weight of 132.59 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylimidazole;hydrochloride is sourced from PubChem (CID 146623882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).