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

C8H15ClN2 — CID 66620565

IUPAC2-butyl-1-methyl-1H-imidazol-1-ium chloride
SMILESCCCCC1=NC=C[NH+]1C.[Cl-]
InChIInChI=1S/C8H14N2.ClH/c1-3-4-5-8-9-6-7-10(8)2;/h6-7H,3-5H2,1-2H3;1H
InChIKeyGJIAPXBSQMTGSM-UHFFFAOYSA-N
MW174.68 g/mol
LogP-2.42
Rot. Bonds3

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

2-butyl-1-methyl-1H-imidazol-1-ium chloride (PubChem CID 66620565) has the molecular formula C8H15ClN2 and a molecular weight of 174.68 g/mol. Its IUPAC name is 2-butyl-1-methyl-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name2-butyl-1-methyl-1H-imidazol-1-ium chloride
PubChem CID66620565
Molecular FormulaC8H15ClN2
Molecular Weight174.68 g/mol
Exact Mass174.09
IUPAC Name2-butyl-1-methyl-1H-imidazol-1-ium chloride
SMILESCCCCC1=NC=C[NH+]1C.[Cl-]
InChIInChI=1S/C8H14N2.ClH/c1-3-4-5-8-9-6-7-10(8)2;/h6-7H,3-5H2,1-2H3;1H
InChIKeyGJIAPXBSQMTGSM-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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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methyl-1H-imidazol-1-ium chloride?
The IUPAC name of 2-butyl-1-methyl-1H-imidazol-1-ium chloride (CID 66620565) is 2-butyl-1-methyl-1H-imidazol-1-ium chloride.
What is the SMILES notation for 2-butyl-1-methyl-1H-imidazol-1-ium chloride?
The canonical SMILES for 2-butyl-1-methyl-1H-imidazol-1-ium chloride is CCCCC1=NC=C[NH+]1C.[Cl-].
What is the InChIKey of 2-butyl-1-methyl-1H-imidazol-1-ium chloride?
The InChIKey is GJIAPXBSQMTGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.ClH/c1-3-4-5-8-9-6-7-10(8)2;/h6-7H,3-5H2,1-2H3;1H.
What are the key properties of 2-butyl-1-methyl-1H-imidazol-1-ium chloride?
2-butyl-1-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 2-butyl-1-methyl-1H-imidazol-1-ium chloride is sourced from PubChem (CID 66620565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).