5-(6-hydroxy-1H-benzimidazol-2-yl)benzene-1,3-diol

C13H10N2O3 — CID 71681237

IUPAC5-(6-hydroxy-1H-benzimidazol-2-yl)benzene-1,3-diol
SMILESOc1cc(O)cc(-c2nc3ccc(O)cc3[nH]2)c1
InChIInChI=1S/C13H10N2O3/c16-8-1-2-11-12(6-8)15-13(14-11)7-3-9(17)5-10(18)4-7/h1-6,16-18H,(H,14,15)
InChIKeyNCYCPQCNTUAVPK-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.35
Rot. Bonds1

About 5-(6-hydroxy-1H-benzimidazol-2-yl)benzene-1,3-diol

5-(6-hydroxy-1H-benzimidazol-2-yl)benzene-1,3-diol (PubChem CID 71681237) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-(6-hydroxy-1H-benzimidazol-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(6-hydroxy-1H-benzimidazol-2-yl)benzene-1,3-diol
PubChem CID71681237
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name5-(6-hydroxy-1H-benzimidazol-2-yl)benzene-1,3-diol
SMILESOc1cc(O)cc(-c2nc3ccc(O)cc3[nH]2)c1
InChIInChI=1S/C13H10N2O3/c16-8-1-2-11-12(6-8)15-13(14-11)7-3-9(17)5-10(18)4-7/h1-6,16-18H,(H,14,15)
InChIKeyNCYCPQCNTUAVPK-UHFFFAOYSA-N
XLogP2.35
TPSA89.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-hydroxy-1H-benzimidazol-2-yl)benzene-1,3-diol?
The IUPAC name of 5-(6-hydroxy-1H-benzimidazol-2-yl)benzene-1,3-diol (CID 71681237) is 5-(6-hydroxy-1H-benzimidazol-2-yl)benzene-1,3-diol.
What is the SMILES notation for 5-(6-hydroxy-1H-benzimidazol-2-yl)benzene-1,3-diol?
The canonical SMILES for 5-(6-hydroxy-1H-benzimidazol-2-yl)benzene-1,3-diol is Oc1cc(O)cc(-c2nc3ccc(O)cc3[nH]2)c1.
What is the InChIKey of 5-(6-hydroxy-1H-benzimidazol-2-yl)benzene-1,3-diol?
The InChIKey is NCYCPQCNTUAVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-8-1-2-11-12(6-8)15-13(14-11)7-3-9(17)5-10(18)4-7/h1-6,16-18H,(H,14,15).
What are the key properties of 5-(6-hydroxy-1H-benzimidazol-2-yl)benzene-1,3-diol?
5-(6-hydroxy-1H-benzimidazol-2-yl)benzene-1,3-diol has a molecular weight of 242.23 g/mol, XLogP of 2.35, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydroxy-1H-benzimidazol-2-yl)benzene-1,3-diol is sourced from PubChem (CID 71681237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).