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

C6H11ClN2 — CID 142109633

IUPAC1,4,5-trimethyl-1H-imidazol-1-ium chloride
SMILESCC1=C(C)[NH+](C)C=N1.[Cl-]
InChIInChI=1S/C6H10N2.ClH/c1-5-6(2)8(3)4-7-5;/h4H,1-3H3;1H
InChIKeyXHOCOMUZLCPUEE-UHFFFAOYSA-N
MW146.62 g/mol
LogP-3.20
Rot. Bonds

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

1,4,5-trimethyl-1H-imidazol-1-ium chloride (PubChem CID 142109633) has the molecular formula C6H11ClN2 and a molecular weight of 146.62 g/mol. Its IUPAC name is 1,4,5-trimethyl-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name1,4,5-trimethyl-1H-imidazol-1-ium chloride
PubChem CID142109633
Molecular FormulaC6H11ClN2
Molecular Weight146.62 g/mol
Exact Mass146.06
IUPAC Name1,4,5-trimethyl-1H-imidazol-1-ium chloride
SMILESCC1=C(C)[NH+](C)C=N1.[Cl-]
InChIInChI=1S/C6H10N2.ClH/c1-5-6(2)8(3)4-7-5;/h4H,1-3H3;1H
InChIKeyXHOCOMUZLCPUEE-UHFFFAOYSA-N
XLogP-3.20
TPSA16.80 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 ≤ 5-3.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,4,5-trimethyl-1H-imidazol-1-ium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide
CID 123336063
Carbanide;5-methyl-1,4-dihydroimidazol-4-ide;tungsten(2+)
CID 54681562
Carbanide;5-methyl-1,4-dihydroimidazol-4-ide;yttrium
CID 59919462
N'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide
CID 90315791
N-[(Z)-1-chloro-1-(methylamino)prop-1-en-2-yl]-N'-methylmethanimidamide
CID 139364532
1,2,4,5-tetramethyl-1H-imidazol-1-ium chloride
CID 142109644
4,5-dimethyl-1H-imidazol-1-ium iodide
CID 145803183
N-[(E)-1-amino-1-(aminomethylideneamino)prop-1-en-2-yl]-N'-methylmethanimidamide
CID 148575149
1-ethyl-4-methyl-1H-imidazol-1-ium chloride
CID 160545986
4,6-dimethyl-1H-pyrimidine
CID 176543833
5-Methyl-1,4-dihydroimidazol-3-ium-4-ide
CID 177741534
Carbanide;5-methyl-1,4-dihydroimidazol-4-ide;yttrium(3+)
CID 54719925

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-1H-imidazol-1-ium chloride?
The IUPAC name of 1,4,5-trimethyl-1H-imidazol-1-ium chloride (CID 142109633) is 1,4,5-trimethyl-1H-imidazol-1-ium chloride.
What is the SMILES notation for 1,4,5-trimethyl-1H-imidazol-1-ium chloride?
The canonical SMILES for 1,4,5-trimethyl-1H-imidazol-1-ium chloride is CC1=C(C)[NH+](C)C=N1.[Cl-].
What is the InChIKey of 1,4,5-trimethyl-1H-imidazol-1-ium chloride?
The InChIKey is XHOCOMUZLCPUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.ClH/c1-5-6(2)8(3)4-7-5;/h4H,1-3H3;1H.
What are the key properties of 1,4,5-trimethyl-1H-imidazol-1-ium chloride?
1,4,5-trimethyl-1H-imidazol-1-ium chloride has a molecular weight of 146.62 g/mol, XLogP of -3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-1H-imidazol-1-ium chloride is sourced from PubChem (CID 142109633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).