4-(1-hydroxybenzimidazol-2-yl)benzene-1,2-diol

C13H10N2O3 — CID 136600493

IUPAC4-(1-hydroxybenzimidazol-2-yl)benzene-1,2-diol
SMILESOc1ccc(-c2nc3ccccc3n2O)cc1O
InChIInChI=1S/C13H10N2O3/c16-11-6-5-8(7-12(11)17)13-14-9-3-1-2-4-10(9)15(13)18/h1-7,16-18H
InChIKeyGJACOTDMKPJRQY-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.35
Rot. Bonds1

About 4-(1-hydroxybenzimidazol-2-yl)benzene-1,2-diol

4-(1-hydroxybenzimidazol-2-yl)benzene-1,2-diol (PubChem CID 136600493) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 4-(1-hydroxybenzimidazol-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(1-hydroxybenzimidazol-2-yl)benzene-1,2-diol
PubChem CID136600493
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name4-(1-hydroxybenzimidazol-2-yl)benzene-1,2-diol
SMILESOc1ccc(-c2nc3ccccc3n2O)cc1O
InChIInChI=1S/C13H10N2O3/c16-11-6-5-8(7-12(11)17)13-14-9-3-1-2-4-10(9)15(13)18/h1-7,16-18H
InChIKeyGJACOTDMKPJRQY-UHFFFAOYSA-N
XLogP2.35
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-2-phenylbenzimidazole
CID 606555
2-amino-5-(1-methylbenzimidazol-2-yl)phenol
CID 60835038
2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872074
4-(3-chloro-4-methylquinolin-2-yl)benzene-1,2-diol
CID 135950031
4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol
CID 136751423
4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
CID 136885635
2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
CID 136872120
5-[[2-(3-carboxy-4-hydroxyphenyl)benzimidazol-1-yl]methyl]-2-hydroxybenzoic acid
CID 172914500
3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid
CID 10083635
4-(6-chloro-1-propylbenzimidazol-2-yl)benzene-1,2-diol
CID 136885662
4-(1,3-benzothiazol-2-yl)benzene-1,2-diol
CID 3027254
2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxybenzimidazol-2-yl)benzene-1,2-diol?
The IUPAC name of 4-(1-hydroxybenzimidazol-2-yl)benzene-1,2-diol (CID 136600493) is 4-(1-hydroxybenzimidazol-2-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(1-hydroxybenzimidazol-2-yl)benzene-1,2-diol?
The canonical SMILES for 4-(1-hydroxybenzimidazol-2-yl)benzene-1,2-diol is Oc1ccc(-c2nc3ccccc3n2O)cc1O.
What is the InChIKey of 4-(1-hydroxybenzimidazol-2-yl)benzene-1,2-diol?
The InChIKey is GJACOTDMKPJRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-11-6-5-8(7-12(11)17)13-14-9-3-1-2-4-10(9)15(13)18/h1-7,16-18H.
What are the key properties of 4-(1-hydroxybenzimidazol-2-yl)benzene-1,2-diol?
4-(1-hydroxybenzimidazol-2-yl)benzene-1,2-diol has a molecular weight of 242.23 g/mol, XLogP of 2.35, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxybenzimidazol-2-yl)benzene-1,2-diol is sourced from PubChem (CID 136600493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).