5-(1-methylbenzimidazol-2-yl)-1H-pyridin-2-one

C13H11N3O — CID 2768953

IUPAC5-(1-methylbenzimidazol-2-yl)-1H-pyridin-2-one
SMILESCn1c(-c2ccc(=O)[nH]c2)nc2ccccc21
InChIInChI=1S/C13H11N3O/c1-16-11-5-3-2-4-10(11)15-13(16)9-6-7-12(17)14-8-9/h2-8H,1H3,(H,14,17)
InChIKeyLWCUVEXXGCXPHP-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.93
Rot. Bonds1

About 5-(1-methylbenzimidazol-2-yl)-1H-pyridin-2-one

5-(1-methylbenzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 2768953) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-(1-methylbenzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1-methylbenzimidazol-2-yl)-1H-pyridin-2-one
PubChem CID2768953
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name5-(1-methylbenzimidazol-2-yl)-1H-pyridin-2-one
SMILESCn1c(-c2ccc(=O)[nH]c2)nc2ccccc21
InChIInChI=1S/C13H11N3O/c1-16-11-5-3-2-4-10(11)15-13(16)9-6-7-12(17)14-8-9/h2-8H,1H3,(H,14,17)
InChIKeyLWCUVEXXGCXPHP-UHFFFAOYSA-N
XLogP1.93
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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1,2-Dimethylbenzimidazole
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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylbenzimidazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(1-methylbenzimidazol-2-yl)-1H-pyridin-2-one (CID 2768953) is 5-(1-methylbenzimidazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1-methylbenzimidazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1-methylbenzimidazol-2-yl)-1H-pyridin-2-one is Cn1c(-c2ccc(=O)[nH]c2)nc2ccccc21.
What is the InChIKey of 5-(1-methylbenzimidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is LWCUVEXXGCXPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-16-11-5-3-2-4-10(11)15-13(16)9-6-7-12(17)14-8-9/h2-8H,1H3,(H,14,17).
What are the key properties of 5-(1-methylbenzimidazol-2-yl)-1H-pyridin-2-one?
5-(1-methylbenzimidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 225.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylbenzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 2768953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).