2-butyl-1-methylimidazole;propan-2-ol;hydrochloride

C11H23ClN2O — CID 175427574

IUPAC2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
SMILESCC(C)O.CCCCc1nccn1C.Cl
InChIInChI=1S/C8H14N2.C3H8O.ClH/c1-3-4-5-8-9-6-7-10(8)2;1-3(2)4;/h6-7H,3-5H2,1-2H3;3-4H,1-2H3;1H
InChIKeyODIJTAFKGDXGIA-UHFFFAOYSA-N
MW234.77 g/mol
LogP2.57
Rot. Bonds3

About 2-butyl-1-methylimidazole;propan-2-ol;hydrochloride

2-butyl-1-methylimidazole;propan-2-ol;hydrochloride (PubChem CID 175427574) has the molecular formula C11H23ClN2O and a molecular weight of 234.77 g/mol. Its IUPAC name is 2-butyl-1-methylimidazole;propan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
PubChem CID175427574
Molecular FormulaC11H23ClN2O
Molecular Weight234.77 g/mol
Exact Mass234.15
IUPAC Name2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
SMILESCC(C)O.CCCCc1nccn1C.Cl
InChIInChI=1S/C8H14N2.C3H8O.ClH/c1-3-4-5-8-9-6-7-10(8)2;1-3(2)4;/h6-7H,3-5H2,1-2H3;3-4H,1-2H3;1H
InChIKeyODIJTAFKGDXGIA-UHFFFAOYSA-N
XLogP2.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
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(Z)-but-2-enedioic acid;2-butyl-1-methylimidazole
CID 174928175
8-(1-methylimidazol-2-yl)octan-4-ol
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7-(1-methylimidazol-2-yl)heptan-3-ol
CID 114532166
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
azane;1-methyl-2-propylimidazole
CID 174525892
2-butyl-1-methylimidazole;dibutyl hydrogen phosphate
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2-(4-bromopentyl)-1-methylimidazole
CID 79761341

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methylimidazole;propan-2-ol;hydrochloride?
The IUPAC name of 2-butyl-1-methylimidazole;propan-2-ol;hydrochloride (CID 175427574) is 2-butyl-1-methylimidazole;propan-2-ol;hydrochloride.
What is the SMILES notation for 2-butyl-1-methylimidazole;propan-2-ol;hydrochloride?
The canonical SMILES for 2-butyl-1-methylimidazole;propan-2-ol;hydrochloride is CC(C)O.CCCCc1nccn1C.Cl.
What is the InChIKey of 2-butyl-1-methylimidazole;propan-2-ol;hydrochloride?
The InChIKey is ODIJTAFKGDXGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C3H8O.ClH/c1-3-4-5-8-9-6-7-10(8)2;1-3(2)4;/h6-7H,3-5H2,1-2H3;3-4H,1-2H3;1H.
What are the key properties of 2-butyl-1-methylimidazole;propan-2-ol;hydrochloride?
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride has a molecular weight of 234.77 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methylimidazole;propan-2-ol;hydrochloride is sourced from PubChem (CID 175427574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).