4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one

C12H9N3O — CID 141171310

IUPAC4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc3nc[nH]c3c2)cc[nH]1
InChIInChI=1S/C12H9N3O/c16-12-6-9(3-4-13-12)8-1-2-10-11(5-8)15-7-14-10/h1-7H,(H,13,16)(H,14,15)
InChIKeyLYDYRELXLDHALZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.92
Rot. Bonds1

About 4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one

4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one (PubChem CID 141171310) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one
PubChem CID141171310
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc3nc[nH]c3c2)cc[nH]1
InChIInChI=1S/C12H9N3O/c16-12-6-9(3-4-13-12)8-1-2-10-11(5-8)15-7-14-10/h1-7H,(H,13,16)(H,14,15)
InChIKeyLYDYRELXLDHALZ-UHFFFAOYSA-N
XLogP1.92
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one (CID 141171310) is 4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one is O=c1cc(-c2ccc3nc[nH]c3c2)cc[nH]1.
What is the InChIKey of 4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one?
The InChIKey is LYDYRELXLDHALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-12-6-9(3-4-13-12)8-1-2-10-11(5-8)15-7-14-10/h1-7H,(H,13,16)(H,14,15).
What are the key properties of 4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one?
4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one has a molecular weight of 211.22 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 141171310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).