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

C14H12N2O2 — CID 15214512

IUPAC4-(1H-benzimidazol-2-ylmethyl)benzene-1,2-diol
SMILESOc1ccc(Cc2nc3ccccc3[nH]2)cc1O
InChIInChI=1S/C14H12N2O2/c17-12-6-5-9(7-13(12)18)8-14-15-10-3-1-2-4-11(10)16-14/h1-7,17-18H,8H2,(H,15,16)
InChIKeyUZOZWFKIQNGEHB-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.56
Rot. Bonds2

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

4-(1H-benzimidazol-2-ylmethyl)benzene-1,2-diol (PubChem CID 15214512) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylmethyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylmethyl)benzene-1,2-diol
PubChem CID15214512
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-(1H-benzimidazol-2-ylmethyl)benzene-1,2-diol
SMILESOc1ccc(Cc2nc3ccccc3[nH]2)cc1O
InChIInChI=1S/C14H12N2O2/c17-12-6-5-9(7-13(12)18)8-14-15-10-3-1-2-4-11(10)16-14/h1-7,17-18H,8H2,(H,15,16)
InChIKeyUZOZWFKIQNGEHB-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': '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-benzimidazol-2-ylmethyl)benzene-1,2-diol?
The IUPAC name of 4-(1H-benzimidazol-2-ylmethyl)benzene-1,2-diol (CID 15214512) is 4-(1H-benzimidazol-2-ylmethyl)benzene-1,2-diol.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylmethyl)benzene-1,2-diol?
The canonical SMILES for 4-(1H-benzimidazol-2-ylmethyl)benzene-1,2-diol is Oc1ccc(Cc2nc3ccccc3[nH]2)cc1O.
What is the InChIKey of 4-(1H-benzimidazol-2-ylmethyl)benzene-1,2-diol?
The InChIKey is UZOZWFKIQNGEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-12-6-5-9(7-13(12)18)8-14-15-10-3-1-2-4-11(10)16-14/h1-7,17-18H,8H2,(H,15,16).
What are the key properties of 4-(1H-benzimidazol-2-ylmethyl)benzene-1,2-diol?
4-(1H-benzimidazol-2-ylmethyl)benzene-1,2-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 4-(1H-benzimidazol-2-ylmethyl)benzene-1,2-diol is sourced from PubChem (CID 15214512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).