1-ethoxybenzimidazole-5,6-diol

C9H10N2O3 — CID 69256275

IUPAC1-ethoxybenzimidazole-5,6-diol
SMILESCCOn1cnc2cc(O)c(O)cc21
InChIInChI=1S/C9H10N2O3/c1-2-14-11-5-10-6-3-8(12)9(13)4-7(6)11/h3-5,12-13H,2H2,1H3
InChIKeyZFORGZTUGXVPAB-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.90
Rot. Bonds2

About 1-ethoxybenzimidazole-5,6-diol

1-ethoxybenzimidazole-5,6-diol (PubChem CID 69256275) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-ethoxybenzimidazole-5,6-diol.

Molecular Properties

Compound Name1-ethoxybenzimidazole-5,6-diol
PubChem CID69256275
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name1-ethoxybenzimidazole-5,6-diol
SMILESCCOn1cnc2cc(O)c(O)cc21
InChIInChI=1S/C9H10N2O3/c1-2-14-11-5-10-6-3-8(12)9(13)4-7(6)11/h3-5,12-13H,2H2,1H3
InChIKeyZFORGZTUGXVPAB-UHFFFAOYSA-N
XLogP0.90
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-ethoxybenzimidazole-5,6-diol?
The IUPAC name of 1-ethoxybenzimidazole-5,6-diol (CID 69256275) is 1-ethoxybenzimidazole-5,6-diol.
What is the SMILES notation for 1-ethoxybenzimidazole-5,6-diol?
The canonical SMILES for 1-ethoxybenzimidazole-5,6-diol is CCOn1cnc2cc(O)c(O)cc21.
What is the InChIKey of 1-ethoxybenzimidazole-5,6-diol?
The InChIKey is ZFORGZTUGXVPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-2-14-11-5-10-6-3-8(12)9(13)4-7(6)11/h3-5,12-13H,2H2,1H3.
What are the key properties of 1-ethoxybenzimidazole-5,6-diol?
1-ethoxybenzimidazole-5,6-diol has a molecular weight of 194.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxybenzimidazole-5,6-diol is sourced from PubChem (CID 69256275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).