1H-imidazol-2-ylmethanol;hydrochloride

C4H7ClN2O — CID 2776278

IUPAC1H-imidazol-2-ylmethanol;hydrochloride
SMILESCl.OCc1ncc[nH]1
InChIInChI=1S/C4H6N2O.ClH/c7-3-4-5-1-2-6-4;/h1-2,7H,3H2,(H,5,6);1H
InChIKeyFEORNCWZOSTSRO-UHFFFAOYSA-N
MW134.57 g/mol
LogP0.32
Rot. Bonds1

About 1H-imidazol-2-ylmethanol;hydrochloride

1H-imidazol-2-ylmethanol;hydrochloride (PubChem CID 2776278) has the molecular formula C4H7ClN2O and a molecular weight of 134.57 g/mol. Its IUPAC name is 1H-imidazol-2-ylmethanol;hydrochloride.

Molecular Properties

Compound Name1H-imidazol-2-ylmethanol;hydrochloride
PubChem CID2776278
Molecular FormulaC4H7ClN2O
Molecular Weight134.57 g/mol
Exact Mass134.02
IUPAC Name1H-imidazol-2-ylmethanol;hydrochloride
SMILESCl.OCc1ncc[nH]1
InChIInChI=1S/C4H6N2O.ClH/c7-3-4-5-1-2-6-4;/h1-2,7H,3H2,(H,5,6);1H
InChIKeyFEORNCWZOSTSRO-UHFFFAOYSA-N
XLogP0.32
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.57
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-ylmethanol;hydrochloride?
The IUPAC name of 1H-imidazol-2-ylmethanol;hydrochloride (CID 2776278) is 1H-imidazol-2-ylmethanol;hydrochloride.
What is the SMILES notation for 1H-imidazol-2-ylmethanol;hydrochloride?
The canonical SMILES for 1H-imidazol-2-ylmethanol;hydrochloride is Cl.OCc1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-ylmethanol;hydrochloride?
The InChIKey is FEORNCWZOSTSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.ClH/c7-3-4-5-1-2-6-4;/h1-2,7H,3H2,(H,5,6);1H.
What are the key properties of 1H-imidazol-2-ylmethanol;hydrochloride?
1H-imidazol-2-ylmethanol;hydrochloride has a molecular weight of 134.57 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-ylmethanol;hydrochloride is sourced from PubChem (CID 2776278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).