3-(4,5-dibutyl-1H-imidazol-2-yl)hexan-2-ol;hydrochloride

C17H33ClN2O — CID 175873072

IUPAC3-(4,5-dibutyl-1H-imidazol-2-yl)hexan-2-ol;hydrochloride
SMILESCCCCc1nc(C(CCC)C(C)O)[nH]c1CCCC.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-5-8-11-15-16(12-9-6-2)19-17(18-15)14(10-7-3)13(4)20;/h13-14,20H,5-12H2,1-4H3,(H,18,19);1H
InChIKeyLBFMZBAIYBLXOF-UHFFFAOYSA-N
MW316.92 g/mol
LogP4.78
Rot. Bonds10

About 3-(4,5-dibutyl-1H-imidazol-2-yl)hexan-2-ol;hydrochloride

3-(4,5-dibutyl-1H-imidazol-2-yl)hexan-2-ol;hydrochloride (PubChem CID 175873072) has the molecular formula C17H33ClN2O and a molecular weight of 316.92 g/mol. Its IUPAC name is 3-(4,5-dibutyl-1H-imidazol-2-yl)hexan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-(4,5-dibutyl-1H-imidazol-2-yl)hexan-2-ol;hydrochloride
PubChem CID175873072
Molecular FormulaC17H33ClN2O
Molecular Weight316.92 g/mol
Exact Mass316.23
IUPAC Name3-(4,5-dibutyl-1H-imidazol-2-yl)hexan-2-ol;hydrochloride
SMILESCCCCc1nc(C(CCC)C(C)O)[nH]c1CCCC.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-5-8-11-15-16(12-9-6-2)19-17(18-15)14(10-7-3)13(4)20;/h13-14,20H,5-12H2,1-4H3,(H,18,19);1H
InChIKeyLBFMZBAIYBLXOF-UHFFFAOYSA-N
XLogP4.78
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.92
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dibutyl-1H-imidazol-2-yl)hexan-2-ol;hydrochloride?
The IUPAC name of 3-(4,5-dibutyl-1H-imidazol-2-yl)hexan-2-ol;hydrochloride (CID 175873072) is 3-(4,5-dibutyl-1H-imidazol-2-yl)hexan-2-ol;hydrochloride.
What is the SMILES notation for 3-(4,5-dibutyl-1H-imidazol-2-yl)hexan-2-ol;hydrochloride?
The canonical SMILES for 3-(4,5-dibutyl-1H-imidazol-2-yl)hexan-2-ol;hydrochloride is CCCCc1nc(C(CCC)C(C)O)[nH]c1CCCC.Cl.
What is the InChIKey of 3-(4,5-dibutyl-1H-imidazol-2-yl)hexan-2-ol;hydrochloride?
The InChIKey is LBFMZBAIYBLXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O.ClH/c1-5-8-11-15-16(12-9-6-2)19-17(18-15)14(10-7-3)13(4)20;/h13-14,20H,5-12H2,1-4H3,(H,18,19);1H.
What are the key properties of 3-(4,5-dibutyl-1H-imidazol-2-yl)hexan-2-ol;hydrochloride?
3-(4,5-dibutyl-1H-imidazol-2-yl)hexan-2-ol;hydrochloride has a molecular weight of 316.92 g/mol, XLogP of 4.78, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dibutyl-1H-imidazol-2-yl)hexan-2-ol;hydrochloride is sourced from PubChem (CID 175873072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).