2-(1H-benzimidazol-2-ylmethyl)benzene-1,4-diol

C14H12N2O2 — CID 882243

IUPAC2-(1H-benzimidazol-2-ylmethyl)benzene-1,4-diol
SMILESOc1ccc(O)c(Cc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H12N2O2/c17-10-5-6-13(18)9(7-10)8-14-15-11-3-1-2-4-12(11)16-14/h1-7,17-18H,8H2,(H,15,16)
InChIKeyLGDLZQUSAVSGIM-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.56
Rot. Bonds2

About 2-(1H-benzimidazol-2-ylmethyl)benzene-1,4-diol

2-(1H-benzimidazol-2-ylmethyl)benzene-1,4-diol (PubChem CID 882243) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethyl)benzene-1,4-diol
PubChem CID882243
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-(1H-benzimidazol-2-ylmethyl)benzene-1,4-diol
SMILESOc1ccc(O)c(Cc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H12N2O2/c17-10-5-6-13(18)9(7-10)8-14-15-11-3-1-2-4-12(11)16-14/h1-7,17-18H,8H2,(H,15,16)
InChIKeyLGDLZQUSAVSGIM-UHFFFAOYSA-N
XLogP2.56
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethyl)benzene-1,4-diol?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethyl)benzene-1,4-diol (CID 882243) is 2-(1H-benzimidazol-2-ylmethyl)benzene-1,4-diol.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethyl)benzene-1,4-diol?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethyl)benzene-1,4-diol is Oc1ccc(O)c(Cc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethyl)benzene-1,4-diol?
The InChIKey is LGDLZQUSAVSGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-10-5-6-13(18)9(7-10)8-14-15-11-3-1-2-4-12(11)16-14/h1-7,17-18H,8H2,(H,15,16).
What are the key properties of 2-(1H-benzimidazol-2-ylmethyl)benzene-1,4-diol?
2-(1H-benzimidazol-2-ylmethyl)benzene-1,4-diol has a molecular weight of 240.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethyl)benzene-1,4-diol is sourced from PubChem (CID 882243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).