2,4,5-trimethyl-1H-imidazol-1-ium chloride

C6H11ClN2 — CID 19877192

IUPAC2,4,5-trimethyl-1H-imidazol-1-ium chloride
SMILESCC1=NC(C)=C(C)[NH2+]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
LogP-2.76
Rot. Bonds

About 2,4,5-trimethyl-1H-imidazol-1-ium chloride

2,4,5-trimethyl-1H-imidazol-1-ium chloride (PubChem CID 19877192) has the molecular formula C6H11ClN2 and a molecular weight of 146.62 g/mol. Its IUPAC name is 2,4,5-trimethyl-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name2,4,5-trimethyl-1H-imidazol-1-ium chloride
PubChem CID19877192
Molecular FormulaC6H11ClN2
Molecular Weight146.62 g/mol
Exact Mass146.06
IUPAC Name2,4,5-trimethyl-1H-imidazol-1-ium chloride
SMILESCC1=NC(C)=C(C)[NH2+]1.[Cl-]
InChIInChI=1S/C6H10N2.ClH/c1-4-5(2)8-6(3)7-4;/h1-3H3,(H,7,8);1H
InChIKeyNZXNIRRRIOMHIE-UHFFFAOYSA-N
XLogP-2.76
TPSA28.97 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 ≤ 5-2.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Dimethyl-1,4-dihydroimidazol-4-ide;yttrium
CID 58637027
1,2,4,5-tetramethyl-1H-imidazol-1-ium chloride
CID 142109644
2,5-Dimethyl-1,4-dihydroimidazol-4-ide;ethane;rubidium(1+)
CID 145589300
2,5-Dimethyl-1,4-dihydroimidazol-4-ide;rhodium
CID 156809624
Potassium 2,5-dimethyl-1,4-dihydroimidazol-4-ide
CID 177171986

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-1H-imidazol-1-ium chloride?
The IUPAC name of 2,4,5-trimethyl-1H-imidazol-1-ium chloride (CID 19877192) is 2,4,5-trimethyl-1H-imidazol-1-ium chloride.
What is the SMILES notation for 2,4,5-trimethyl-1H-imidazol-1-ium chloride?
The canonical SMILES for 2,4,5-trimethyl-1H-imidazol-1-ium chloride is CC1=NC(C)=C(C)[NH2+]1.[Cl-].
What is the InChIKey of 2,4,5-trimethyl-1H-imidazol-1-ium chloride?
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-imidazol-1-ium chloride?
2,4,5-trimethyl-1H-imidazol-1-ium chloride has a molecular weight of 146.62 g/mol, XLogP of -2.76, 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-imidazol-1-ium chloride is sourced from PubChem (CID 19877192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).