3-pyridin-2-yl-1H-benzimidazol-2-one

C12H9N3O — CID 24834853

IUPAC3-pyridin-2-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1-c1ccccn1
InChIInChI=1S/C12H9N3O/c16-12-14-9-5-1-2-6-10(9)15(12)11-7-3-4-8-13-11/h1-8H,(H,14,16)
InChIKeyUNKBIBPHHBNVIJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.71
Rot. Bonds1

About 3-pyridin-2-yl-1H-benzimidazol-2-one

3-pyridin-2-yl-1H-benzimidazol-2-one (PubChem CID 24834853) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-pyridin-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-pyridin-2-yl-1H-benzimidazol-2-one
PubChem CID24834853
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name3-pyridin-2-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1-c1ccccn1
InChIInChI=1S/C12H9N3O/c16-12-14-9-5-1-2-6-10(9)15(12)11-7-3-4-8-13-11/h1-8H,(H,14,16)
InChIKeyUNKBIBPHHBNVIJ-UHFFFAOYSA-N
XLogP1.71
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 3-pyridin-2-yl-1H-benzimidazol-2-one (CID 24834853) is 3-pyridin-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-pyridin-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 3-pyridin-2-yl-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1-c1ccccn1.
What is the InChIKey of 3-pyridin-2-yl-1H-benzimidazol-2-one?
The InChIKey is UNKBIBPHHBNVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-12-14-9-5-1-2-6-10(9)15(12)11-7-3-4-8-13-11/h1-8H,(H,14,16).
What are the key properties of 3-pyridin-2-yl-1H-benzimidazol-2-one?
3-pyridin-2-yl-1H-benzimidazol-2-one has a molecular weight of 211.22 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 24834853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).