2,4,5-trimethyl-1H-imidazole;hydrochloride

C6H11ClN2 — CID 67901281

IUPAC2,4,5-trimethyl-1H-imidazole;hydrochloride
SMILESCc1nc(C)c(C)[nH]1.Cl
InChIInChI=1S/C6H10N2.ClH/c1-4-5(2)8-6(3)7-4;/h1-3H3,(H,7,8);1H
InChIKeyNZXNIRRRIOMHIE-UHFFFAOYSA-N
MW146.62 g/mol
LogP1.76
Rot. Bonds

About 2,4,5-trimethyl-1H-imidazole;hydrochloride

2,4,5-trimethyl-1H-imidazole;hydrochloride (PubChem CID 67901281) has the molecular formula C6H11ClN2 and a molecular weight of 146.62 g/mol. Its IUPAC name is 2,4,5-trimethyl-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2,4,5-trimethyl-1H-imidazole;hydrochloride
PubChem CID67901281
Molecular FormulaC6H11ClN2
Molecular Weight146.62 g/mol
Exact Mass146.06
IUPAC Name2,4,5-trimethyl-1H-imidazole;hydrochloride
SMILESCc1nc(C)c(C)[nH]1.Cl
InChIInChI=1S/C6H10N2.ClH/c1-4-5(2)8-6(3)7-4;/h1-3H3,(H,7,8);1H
InChIKeyNZXNIRRRIOMHIE-UHFFFAOYSA-N
XLogP1.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-1H-imidazole;hydrochloride?
The IUPAC name of 2,4,5-trimethyl-1H-imidazole;hydrochloride (CID 67901281) is 2,4,5-trimethyl-1H-imidazole;hydrochloride.
What is the SMILES notation for 2,4,5-trimethyl-1H-imidazole;hydrochloride?
The canonical SMILES for 2,4,5-trimethyl-1H-imidazole;hydrochloride is Cc1nc(C)c(C)[nH]1.Cl.
What is the InChIKey of 2,4,5-trimethyl-1H-imidazole;hydrochloride?
The InChIKey is NZXNIRRRIOMHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.ClH/c1-4-5(2)8-6(3)7-4;/h1-3H3,(H,7,8);1H.
What are the key properties of 2,4,5-trimethyl-1H-imidazole;hydrochloride?
2,4,5-trimethyl-1H-imidazole;hydrochloride has a molecular weight of 146.62 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-1H-imidazole;hydrochloride is sourced from PubChem (CID 67901281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).