3-(1H-imidazol-2-yl)propan-1-ol;hydrochloride

C6H11ClN2O — CID 138991177

IUPAC3-(1H-imidazol-2-yl)propan-1-ol;hydrochloride
SMILESCl.OCCCc1ncc[nH]1
InChIInChI=1S/C6H10N2O.ClH/c9-5-1-2-6-7-3-4-8-6;/h3-4,9H,1-2,5H2,(H,7,8);1H
InChIKeyATSSTTOZIGLLHM-UHFFFAOYSA-N
MW162.62 g/mol
LogP0.76
Rot. Bonds3

About 3-(1H-imidazol-2-yl)propan-1-ol;hydrochloride

3-(1H-imidazol-2-yl)propan-1-ol;hydrochloride (PubChem CID 138991177) has the molecular formula C6H11ClN2O and a molecular weight of 162.62 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)propan-1-ol;hydrochloride
PubChem CID138991177
Molecular FormulaC6H11ClN2O
Molecular Weight162.62 g/mol
Exact Mass162.06
IUPAC Name3-(1H-imidazol-2-yl)propan-1-ol;hydrochloride
SMILESCl.OCCCc1ncc[nH]1
InChIInChI=1S/C6H10N2O.ClH/c9-5-1-2-6-7-3-4-8-6;/h3-4,9H,1-2,5H2,(H,7,8);1H
InChIKeyATSSTTOZIGLLHM-UHFFFAOYSA-N
XLogP0.76
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)propan-1-ol;hydrochloride?
The IUPAC name of 3-(1H-imidazol-2-yl)propan-1-ol;hydrochloride (CID 138991177) is 3-(1H-imidazol-2-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-(1H-imidazol-2-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-(1H-imidazol-2-yl)propan-1-ol;hydrochloride is Cl.OCCCc1ncc[nH]1.
What is the InChIKey of 3-(1H-imidazol-2-yl)propan-1-ol;hydrochloride?
The InChIKey is ATSSTTOZIGLLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.ClH/c9-5-1-2-6-7-3-4-8-6;/h3-4,9H,1-2,5H2,(H,7,8);1H.
What are the key properties of 3-(1H-imidazol-2-yl)propan-1-ol;hydrochloride?
3-(1H-imidazol-2-yl)propan-1-ol;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 138991177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).