2-methyl-1-(2-methylpropyl)-1H-imidazol-1-ium chloride

C8H15ClN2 — CID 143199822

IUPAC2-methyl-1-(2-methylpropyl)-1H-imidazol-1-ium chloride
SMILESCC1=NC=C[NH+]1CC(C)C.[Cl-]
InChIInChI=1S/C8H14N2.ClH/c1-7(2)6-10-5-4-9-8(10)3;/h4-5,7H,6H2,1-3H3;1H
InChIKeyWSRLRYHINOUSCP-UHFFFAOYSA-N
MW174.67 g/mol
LogP-2.57
Rot. Bonds2

About 2-methyl-1-(2-methylpropyl)-1H-imidazol-1-ium chloride

2-methyl-1-(2-methylpropyl)-1H-imidazol-1-ium chloride (PubChem CID 143199822) has the molecular formula C8H15ClN2 and a molecular weight of 174.67 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-1H-imidazol-1-ium chloride
PubChem CID143199822
Molecular FormulaC8H15ClN2
Molecular Weight174.67 g/mol
Exact Mass174.09
IUPAC Name2-methyl-1-(2-methylpropyl)-1H-imidazol-1-ium chloride
SMILESCC1=NC=C[NH+]1CC(C)C.[Cl-]
InChIInChI=1S/C8H14N2.ClH/c1-7(2)6-10-5-4-9-8(10)3;/h4-5,7H,6H2,1-3H3;1H
InChIKeyWSRLRYHINOUSCP-UHFFFAOYSA-N
XLogP-2.57
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 5-2.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-1-ium chloride
CID 20095166
2-propan-2-yl-1H-imidazol-1-ium
CID 20276869
1-methanidyl-2-propan-2-yl-1H-imidazol-1-ium
CID 59401491
1-butyl-2-methyl-1H-imidazol-1-ium chloride
CID 66619869
2-ethyl-1-methyl-1H-imidazol-1-ium chloride
CID 66778723
2-methyl-1-propyl-1H-imidazol-1-ium iodide
CID 66825902
1-ethyl-2-methyl-1H-imidazol-1-ium chloride
CID 66940693
1-butyl-2-methyl-1H-imidazol-1-ium iodide
CID 66955234
1-ethyl-2-methyl-1H-imidazol-1-ium bromide
CID 66960342
3-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-3-ium chloride
CID 67516540
1,2-di(propan-2-yl)-1H-imidazol-1-ium chloride
CID 68424231
2-butyl-1-ethyl-1H-imidazol-1-ium chloride
CID 68448346

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-1H-imidazol-1-ium chloride?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-1H-imidazol-1-ium chloride (CID 143199822) is 2-methyl-1-(2-methylpropyl)-1H-imidazol-1-ium chloride.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-1H-imidazol-1-ium chloride?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-1H-imidazol-1-ium chloride is CC1=NC=C[NH+]1CC(C)C.[Cl-].
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-1H-imidazol-1-ium chloride?
The InChIKey is WSRLRYHINOUSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.ClH/c1-7(2)6-10-5-4-9-8(10)3;/h4-5,7H,6H2,1-3H3;1H.
What are the key properties of 2-methyl-1-(2-methylpropyl)-1H-imidazol-1-ium chloride?
2-methyl-1-(2-methylpropyl)-1H-imidazol-1-ium chloride has a molecular weight of 174.67 g/mol, XLogP of -2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-1H-imidazol-1-ium chloride is sourced from PubChem (CID 143199822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).