5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one

C12H13N3O — CID 136742884

IUPAC5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2nc3c([nH]2)CCCC3)c[nH]1
InChIInChI=1S/C12H13N3O/c16-11-6-5-8(7-13-11)12-14-9-3-1-2-4-10(9)15-12/h5-7H,1-4H2,(H,13,16)(H,14,15)
InChIKeyGXHHWMZERTZKPJ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.64
Rot. Bonds1

About 5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one

5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 136742884) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one
PubChem CID136742884
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2nc3c([nH]2)CCCC3)c[nH]1
InChIInChI=1S/C12H13N3O/c16-11-6-5-8(7-13-11)12-14-9-3-1-2-4-10(9)15-12/h5-7H,1-4H2,(H,13,16)(H,14,15)
InChIKeyGXHHWMZERTZKPJ-UHFFFAOYSA-N
XLogP1.64
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one (CID 136742884) is 5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one is O=c1ccc(-c2nc3c([nH]2)CCCC3)c[nH]1.
What is the InChIKey of 5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is GXHHWMZERTZKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-11-6-5-8(7-13-11)12-14-9-3-1-2-4-10(9)15-12/h5-7H,1-4H2,(H,13,16)(H,14,15).
What are the key properties of 5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 136742884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).