1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride

C8H15ClN2O — CID 55254810

IUPAC1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride
SMILESCCC(C)C(O)c1cnc[nH]1.Cl
InChIInChI=1S/C8H14N2O.ClH/c1-3-6(2)8(11)7-4-9-5-10-7;/h4-6,8,11H,3H2,1-2H3,(H,9,10);1H
InChIKeyBXUZCZQSCCKSTO-UHFFFAOYSA-N
MW190.67 g/mol
LogP1.91
Rot. Bonds3

About 1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride

1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride (PubChem CID 55254810) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride
PubChem CID55254810
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride
SMILESCCC(C)C(O)c1cnc[nH]1.Cl
InChIInChI=1S/C8H14N2O.ClH/c1-3-6(2)8(11)7-4-9-5-10-7;/h4-6,8,11H,3H2,1-2H3,(H,9,10);1H
InChIKeyBXUZCZQSCCKSTO-UHFFFAOYSA-N
XLogP1.91
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S,3S)-2-azaniumyl-3-hydroxy-3-(1H-imidazol-5-yl)propanoate
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5-octan-3-yl-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride?
The IUPAC name of 1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride (CID 55254810) is 1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride?
The canonical SMILES for 1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride is CCC(C)C(O)c1cnc[nH]1.Cl.
What is the InChIKey of 1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride?
The InChIKey is BXUZCZQSCCKSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.ClH/c1-3-6(2)8(11)7-4-9-5-10-7;/h4-6,8,11H,3H2,1-2H3,(H,9,10);1H.
What are the key properties of 1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride?
1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride has a molecular weight of 190.67 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride is sourced from PubChem (CID 55254810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).