1-butyl-2-methyl-1H-imidazol-1-ium chloride

C8H15ClN2 — CID 66619869

IUPAC1-butyl-2-methyl-1H-imidazol-1-ium chloride
SMILESCCCC[NH+]1C=CN=C1C.[Cl-]
InChIInChI=1S/C8H14N2.ClH/c1-3-4-6-10-7-5-9-8(10)2;/h5,7H,3-4,6H2,1-2H3;1H
InChIKeyLCRZZBQGAWGKFB-UHFFFAOYSA-N
MW174.68 g/mol
LogP-2.42
Rot. Bonds3

About 1-butyl-2-methyl-1H-imidazol-1-ium chloride

1-butyl-2-methyl-1H-imidazol-1-ium chloride (PubChem CID 66619869) has the molecular formula C8H15ClN2 and a molecular weight of 174.68 g/mol. Its IUPAC name is 1-butyl-2-methyl-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name1-butyl-2-methyl-1H-imidazol-1-ium chloride
PubChem CID66619869
Molecular FormulaC8H15ClN2
Molecular Weight174.68 g/mol
Exact Mass174.09
IUPAC Name1-butyl-2-methyl-1H-imidazol-1-ium chloride
SMILESCCCC[NH+]1C=CN=C1C.[Cl-]
InChIInChI=1S/C8H14N2.ClH/c1-3-4-6-10-7-5-9-8(10)2;/h5,7H,3-4,6H2,1-2H3;1H
InChIKeyLCRZZBQGAWGKFB-UHFFFAOYSA-N
XLogP-2.42
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.68
LogP ≤ 5-2.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-Dimethylimidazolium chloride
CID 66809752
3-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-3-ium
CID 17821438
1-butyl-1H-imidazol-1-ium chloride
CID 66672281
1-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-1-ium chloride
CID 20095166
2-methyl-1-octyl-1H-imidazol-1-ium chloride
CID 66602370
1-pentyl-1H-imidazol-1-ium chloride
CID 66620564
2-butyl-1-methyl-1H-imidazol-1-ium chloride
CID 66620565
2-butyl-1-methyl-1H-imidazol-1-ium bromide
CID 66620666
2-ethyl-1-methyl-1H-imidazol-1-ium bromide
CID 66639976
2-butyl-1-methyl-1H-imidazol-1-ium iodide
CID 66714320
2-ethyl-1-methyl-1H-imidazol-1-ium chloride
CID 66778723
2-methyl-1-propyl-1H-imidazol-1-ium iodide
CID 66825902

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methyl-1H-imidazol-1-ium chloride?
The IUPAC name of 1-butyl-2-methyl-1H-imidazol-1-ium chloride (CID 66619869) is 1-butyl-2-methyl-1H-imidazol-1-ium chloride.
What is the SMILES notation for 1-butyl-2-methyl-1H-imidazol-1-ium chloride?
The canonical SMILES for 1-butyl-2-methyl-1H-imidazol-1-ium chloride is CCCC[NH+]1C=CN=C1C.[Cl-].
What is the InChIKey of 1-butyl-2-methyl-1H-imidazol-1-ium chloride?
The InChIKey is LCRZZBQGAWGKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.ClH/c1-3-4-6-10-7-5-9-8(10)2;/h5,7H,3-4,6H2,1-2H3;1H.
What are the key properties of 1-butyl-2-methyl-1H-imidazol-1-ium chloride?
1-butyl-2-methyl-1H-imidazol-1-ium chloride has a molecular weight of 174.68 g/mol, XLogP of -2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methyl-1H-imidazol-1-ium chloride is sourced from PubChem (CID 66619869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).