4-(1H-imidazol-2-ylmethyl)benzene-1,2-diol;hydrochloride

C10H11ClN2O2 — CID 14687338

IUPAC4-(1H-imidazol-2-ylmethyl)benzene-1,2-diol;hydrochloride
SMILESCl.Oc1ccc(Cc2ncc[nH]2)cc1O
InChIInChI=1S/C10H10N2O2.ClH/c13-8-2-1-7(5-9(8)14)6-10-11-3-4-12-10;/h1-5,13-14H,6H2,(H,11,12);1H
InChIKeyRFNCXRYXEOPTJJ-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.83
Rot. Bonds2

About 4-(1H-imidazol-2-ylmethyl)benzene-1,2-diol;hydrochloride

4-(1H-imidazol-2-ylmethyl)benzene-1,2-diol;hydrochloride (PubChem CID 14687338) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylmethyl)benzene-1,2-diol;hydrochloride.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylmethyl)benzene-1,2-diol;hydrochloride
PubChem CID14687338
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name4-(1H-imidazol-2-ylmethyl)benzene-1,2-diol;hydrochloride
SMILESCl.Oc1ccc(Cc2ncc[nH]2)cc1O
InChIInChI=1S/C10H10N2O2.ClH/c13-8-2-1-7(5-9(8)14)6-10-11-3-4-12-10;/h1-5,13-14H,6H2,(H,11,12);1H
InChIKeyRFNCXRYXEOPTJJ-UHFFFAOYSA-N
XLogP1.83
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylmethyl)benzene-1,2-diol;hydrochloride?
The IUPAC name of 4-(1H-imidazol-2-ylmethyl)benzene-1,2-diol;hydrochloride (CID 14687338) is 4-(1H-imidazol-2-ylmethyl)benzene-1,2-diol;hydrochloride.
What is the SMILES notation for 4-(1H-imidazol-2-ylmethyl)benzene-1,2-diol;hydrochloride?
The canonical SMILES for 4-(1H-imidazol-2-ylmethyl)benzene-1,2-diol;hydrochloride is Cl.Oc1ccc(Cc2ncc[nH]2)cc1O.
What is the InChIKey of 4-(1H-imidazol-2-ylmethyl)benzene-1,2-diol;hydrochloride?
The InChIKey is RFNCXRYXEOPTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.ClH/c13-8-2-1-7(5-9(8)14)6-10-11-3-4-12-10;/h1-5,13-14H,6H2,(H,11,12);1H.
What are the key properties of 4-(1H-imidazol-2-ylmethyl)benzene-1,2-diol;hydrochloride?
4-(1H-imidazol-2-ylmethyl)benzene-1,2-diol;hydrochloride has a molecular weight of 226.66 g/mol, XLogP of 1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylmethyl)benzene-1,2-diol;hydrochloride is sourced from PubChem (CID 14687338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).