(2-pyridin-2-yl-3H-benzimidazol-5-yl) formate

C13H9N3O2 — CID 86766119

IUPAC(2-pyridin-2-yl-3H-benzimidazol-5-yl) formate
SMILESO=COc1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C13H9N3O2/c17-8-18-9-4-5-10-12(7-9)16-13(15-10)11-3-1-2-6-14-11/h1-8H,(H,15,16)
InChIKeyZBUGDSFQUUHGDU-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.16
Rot. Bonds3

About (2-pyridin-2-yl-3H-benzimidazol-5-yl) formate

(2-pyridin-2-yl-3H-benzimidazol-5-yl) formate (PubChem CID 86766119) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2-pyridin-2-yl-3H-benzimidazol-5-yl) formate.

Molecular Properties

Compound Name(2-pyridin-2-yl-3H-benzimidazol-5-yl) formate
PubChem CID86766119
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name(2-pyridin-2-yl-3H-benzimidazol-5-yl) formate
SMILESO=COc1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C13H9N3O2/c17-8-18-9-4-5-10-12(7-9)16-13(15-10)11-3-1-2-6-14-11/h1-8H,(H,15,16)
InChIKeyZBUGDSFQUUHGDU-UHFFFAOYSA-N
XLogP2.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-pyridin-2-yl-3H-benzimidazol-5-yl) formate?
The IUPAC name of (2-pyridin-2-yl-3H-benzimidazol-5-yl) formate (CID 86766119) is (2-pyridin-2-yl-3H-benzimidazol-5-yl) formate.
What is the SMILES notation for (2-pyridin-2-yl-3H-benzimidazol-5-yl) formate?
The canonical SMILES for (2-pyridin-2-yl-3H-benzimidazol-5-yl) formate is O=COc1ccc2nc(-c3ccccn3)[nH]c2c1.
What is the InChIKey of (2-pyridin-2-yl-3H-benzimidazol-5-yl) formate?
The InChIKey is ZBUGDSFQUUHGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-8-18-9-4-5-10-12(7-9)16-13(15-10)11-3-1-2-6-14-11/h1-8H,(H,15,16).
What are the key properties of (2-pyridin-2-yl-3H-benzimidazol-5-yl) formate?
(2-pyridin-2-yl-3H-benzimidazol-5-yl) formate has a molecular weight of 239.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-2-yl-3H-benzimidazol-5-yl) formate is sourced from PubChem (CID 86766119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).