1-butyl-2,3,4,5-tetramethyl-2H-imidazole;hydrochloride

C11H23ClN2 — CID 173224703

IUPAC1-butyl-2,3,4,5-tetramethyl-2H-imidazole;hydrochloride
SMILESCCCCN1C(C)=C(C)N(C)C1C.Cl
InChIInChI=1S/C11H22N2.ClH/c1-6-7-8-13-10(3)9(2)12(5)11(13)4;/h11H,6-8H2,1-5H3;1H
InChIKeyRTGISWAGOKEHEH-UHFFFAOYSA-N
MW218.77 g/mol
LogP3.05
Rot. Bonds3

About 1-butyl-2,3,4,5-tetramethyl-2H-imidazole;hydrochloride

1-butyl-2,3,4,5-tetramethyl-2H-imidazole;hydrochloride (PubChem CID 173224703) has the molecular formula C11H23ClN2 and a molecular weight of 218.77 g/mol. Its IUPAC name is 1-butyl-2,3,4,5-tetramethyl-2H-imidazole;hydrochloride.

Molecular Properties

Compound Name1-butyl-2,3,4,5-tetramethyl-2H-imidazole;hydrochloride
PubChem CID173224703
Molecular FormulaC11H23ClN2
Molecular Weight218.77 g/mol
Exact Mass218.15
IUPAC Name1-butyl-2,3,4,5-tetramethyl-2H-imidazole;hydrochloride
SMILESCCCCN1C(C)=C(C)N(C)C1C.Cl
InChIInChI=1S/C11H22N2.ClH/c1-6-7-8-13-10(3)9(2)12(5)11(13)4;/h11H,6-8H2,1-5H3;1H
InChIKeyRTGISWAGOKEHEH-UHFFFAOYSA-N
XLogP3.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,3,4,5-tetramethyl-2H-imidazole;hydrochloride?
The IUPAC name of 1-butyl-2,3,4,5-tetramethyl-2H-imidazole;hydrochloride (CID 173224703) is 1-butyl-2,3,4,5-tetramethyl-2H-imidazole;hydrochloride.
What is the SMILES notation for 1-butyl-2,3,4,5-tetramethyl-2H-imidazole;hydrochloride?
The canonical SMILES for 1-butyl-2,3,4,5-tetramethyl-2H-imidazole;hydrochloride is CCCCN1C(C)=C(C)N(C)C1C.Cl.
What is the InChIKey of 1-butyl-2,3,4,5-tetramethyl-2H-imidazole;hydrochloride?
The InChIKey is RTGISWAGOKEHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.ClH/c1-6-7-8-13-10(3)9(2)12(5)11(13)4;/h11H,6-8H2,1-5H3;1H.
What are the key properties of 1-butyl-2,3,4,5-tetramethyl-2H-imidazole;hydrochloride?
1-butyl-2,3,4,5-tetramethyl-2H-imidazole;hydrochloride has a molecular weight of 218.77 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,3,4,5-tetramethyl-2H-imidazole;hydrochloride is sourced from PubChem (CID 173224703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).