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

C6H11ClN2O — CID 71756018

IUPAC1-(1H-imidazol-2-yl)propan-2-ol;hydrochloride
SMILESCC(O)Cc1ncc[nH]1.Cl
InChIInChI=1S/C6H10N2O.ClH/c1-5(9)4-6-7-2-3-8-6;/h2-3,5,9H,4H2,1H3,(H,7,8);1H
InChIKeyJOIYIZVGXXKBFU-UHFFFAOYSA-N
MW162.62 g/mol
LogP0.75
Rot. Bonds2

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

1-(1H-imidazol-2-yl)propan-2-ol;hydrochloride (PubChem CID 71756018) has the molecular formula C6H11ClN2O and a molecular weight of 162.62 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)propan-2-ol;hydrochloride
PubChem CID71756018
Molecular FormulaC6H11ClN2O
Molecular Weight162.62 g/mol
Exact Mass162.06
IUPAC Name1-(1H-imidazol-2-yl)propan-2-ol;hydrochloride
SMILESCC(O)Cc1ncc[nH]1.Cl
InChIInChI=1S/C6H10N2O.ClH/c1-5(9)4-6-7-2-3-8-6;/h2-3,5,9H,4H2,1H3,(H,7,8);1H
InChIKeyJOIYIZVGXXKBFU-UHFFFAOYSA-N
XLogP0.75
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(1H-imidazol-2-yl)propan-2-ol;hydrochloride (CID 71756018) is 1-(1H-imidazol-2-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(1H-imidazol-2-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(1H-imidazol-2-yl)propan-2-ol;hydrochloride is CC(O)Cc1ncc[nH]1.Cl.
What is the InChIKey of 1-(1H-imidazol-2-yl)propan-2-ol;hydrochloride?
The InChIKey is JOIYIZVGXXKBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.ClH/c1-5(9)4-6-7-2-3-8-6;/h2-3,5,9H,4H2,1H3,(H,7,8);1H.
What are the key properties of 1-(1H-imidazol-2-yl)propan-2-ol;hydrochloride?
1-(1H-imidazol-2-yl)propan-2-ol;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of 0.75, 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)propan-2-ol;hydrochloride is sourced from PubChem (CID 71756018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).