1-(1H-imidazol-2-yl)-2-methylpropan-1-ol;hydrochloride

C7H13ClN2O — CID 155970578

IUPAC1-(1H-imidazol-2-yl)-2-methylpropan-1-ol;hydrochloride
SMILESCC(C)C(O)c1ncc[nH]1.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-5(2)6(10)7-8-3-4-9-7;/h3-6,10H,1-2H3,(H,8,9);1H
InChIKeyLBKJAEWHUFRTLS-UHFFFAOYSA-N
MW176.65 g/mol
LogP1.52
Rot. Bonds2

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

1-(1H-imidazol-2-yl)-2-methylpropan-1-ol;hydrochloride (PubChem CID 155970578) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-2-methylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-2-methylpropan-1-ol;hydrochloride
PubChem CID155970578
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Name1-(1H-imidazol-2-yl)-2-methylpropan-1-ol;hydrochloride
SMILESCC(C)C(O)c1ncc[nH]1.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-5(2)6(10)7-8-3-4-9-7;/h3-6,10H,1-2H3,(H,8,9);1H
InChIKeyLBKJAEWHUFRTLS-UHFFFAOYSA-N
XLogP1.52
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-2-methylpropan-1-ol;hydrochloride?
The IUPAC name of 1-(1H-imidazol-2-yl)-2-methylpropan-1-ol;hydrochloride (CID 155970578) is 1-(1H-imidazol-2-yl)-2-methylpropan-1-ol;hydrochloride.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-2-methylpropan-1-ol;hydrochloride?
The canonical SMILES for 1-(1H-imidazol-2-yl)-2-methylpropan-1-ol;hydrochloride is CC(C)C(O)c1ncc[nH]1.Cl.
What is the InChIKey of 1-(1H-imidazol-2-yl)-2-methylpropan-1-ol;hydrochloride?
The InChIKey is LBKJAEWHUFRTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.ClH/c1-5(2)6(10)7-8-3-4-9-7;/h3-6,10H,1-2H3,(H,8,9);1H.
What are the key properties of 1-(1H-imidazol-2-yl)-2-methylpropan-1-ol;hydrochloride?
1-(1H-imidazol-2-yl)-2-methylpropan-1-ol;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-2-methylpropan-1-ol;hydrochloride is sourced from PubChem (CID 155970578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).