4,5-dimethyl-1H-imidazole;hydrochloride

C5H9ClN2 — CID 15556999

IUPAC4,5-dimethyl-1H-imidazole;hydrochloride
SMILESCc1nc[nH]c1C.Cl
InChIInChI=1S/C5H8N2.ClH/c1-4-5(2)7-3-6-4;/h3H,1-2H3,(H,6,7);1H
InChIKeyRKSANQPKBITNSO-UHFFFAOYSA-N
MW132.59 g/mol
LogP1.45
Rot. Bonds

About 4,5-dimethyl-1H-imidazole;hydrochloride

4,5-dimethyl-1H-imidazole;hydrochloride (PubChem CID 15556999) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is 4,5-dimethyl-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name4,5-dimethyl-1H-imidazole;hydrochloride
PubChem CID15556999
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name4,5-dimethyl-1H-imidazole;hydrochloride
SMILESCc1nc[nH]c1C.Cl
InChIInChI=1S/C5H8N2.ClH/c1-4-5(2)7-3-6-4;/h3H,1-2H3,(H,6,7);1H
InChIKeyRKSANQPKBITNSO-UHFFFAOYSA-N
XLogP1.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-imidazole;hydrochloride?
The IUPAC name of 4,5-dimethyl-1H-imidazole;hydrochloride (CID 15556999) is 4,5-dimethyl-1H-imidazole;hydrochloride.
What is the SMILES notation for 4,5-dimethyl-1H-imidazole;hydrochloride?
The canonical SMILES for 4,5-dimethyl-1H-imidazole;hydrochloride is Cc1nc[nH]c1C.Cl.
What is the InChIKey of 4,5-dimethyl-1H-imidazole;hydrochloride?
The InChIKey is RKSANQPKBITNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.ClH/c1-4-5(2)7-3-6-4;/h3H,1-2H3,(H,6,7);1H.
What are the key properties of 4,5-dimethyl-1H-imidazole;hydrochloride?
4,5-dimethyl-1H-imidazole;hydrochloride has a molecular weight of 132.59 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1H-imidazole;hydrochloride is sourced from PubChem (CID 15556999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).