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

C7H13ClN2 — CID 142109644

IUPAC1,2,4,5-tetramethyl-1H-imidazol-1-ium chloride
SMILESCC1=NC(C)=C(C)[NH+]1C.[Cl-]
InChIInChI=1S/C7H12N2.ClH/c1-5-6(2)9(4)7(3)8-5;/h1-4H3;1H
InChIKeyMYQQKQZMWYLWOR-UHFFFAOYSA-N
MW160.65 g/mol
LogP-2.81
Rot. Bonds

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

1,2,4,5-tetramethyl-1H-imidazol-1-ium chloride (PubChem CID 142109644) has the molecular formula C7H13ClN2 and a molecular weight of 160.65 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-1H-imidazol-1-ium chloride
PubChem CID142109644
Molecular FormulaC7H13ClN2
Molecular Weight160.65 g/mol
Exact Mass160.08
IUPAC Name1,2,4,5-tetramethyl-1H-imidazol-1-ium chloride
SMILESCC1=NC(C)=C(C)[NH+]1C.[Cl-]
InChIInChI=1S/C7H12N2.ClH/c1-5-6(2)9(4)7(3)8-5;/h1-4H3;1H
InChIKeyMYQQKQZMWYLWOR-UHFFFAOYSA-N
XLogP-2.81
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.65
LogP ≤ 5-2.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,5-trimethyl-1H-imidazol-1-ium chloride
CID 19877192
1,4,5-trimethyl-1H-imidazol-1-ium chloride
CID 142109633

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethyl-1H-imidazol-1-ium chloride?
The IUPAC name of 1,2,4,5-tetramethyl-1H-imidazol-1-ium chloride (CID 142109644) is 1,2,4,5-tetramethyl-1H-imidazol-1-ium chloride.
What is the SMILES notation for 1,2,4,5-tetramethyl-1H-imidazol-1-ium chloride?
The canonical SMILES for 1,2,4,5-tetramethyl-1H-imidazol-1-ium chloride is CC1=NC(C)=C(C)[NH+]1C.[Cl-].
What is the InChIKey of 1,2,4,5-tetramethyl-1H-imidazol-1-ium chloride?
The InChIKey is MYQQKQZMWYLWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.ClH/c1-5-6(2)9(4)7(3)8-5;/h1-4H3;1H.
What are the key properties of 1,2,4,5-tetramethyl-1H-imidazol-1-ium chloride?
1,2,4,5-tetramethyl-1H-imidazol-1-ium chloride has a molecular weight of 160.65 g/mol, XLogP of -2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethyl-1H-imidazol-1-ium chloride is sourced from PubChem (CID 142109644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).