3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one

C14H13N3O — CID 2768946

IUPAC3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1cc2nc(-c3ccc[nH]c3=O)[nH]c2cc1C
InChIInChI=1S/C14H13N3O/c1-8-6-11-12(7-9(8)2)17-13(16-11)10-4-3-5-15-14(10)18/h3-7H,1-2H3,(H,15,18)(H,16,17)
InChIKeyRFHFUGMAUREQBB-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.54
Rot. Bonds1

About 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one

3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 2768946) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
PubChem CID2768946
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1cc2nc(-c3ccc[nH]c3=O)[nH]c2cc1C
InChIInChI=1S/C14H13N3O/c1-8-6-11-12(7-9(8)2)17-13(16-11)10-4-3-5-15-14(10)18/h3-7H,1-2H3,(H,15,18)(H,16,17)
InChIKeyRFHFUGMAUREQBB-UHFFFAOYSA-N
XLogP2.54
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (CID 2768946) is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is Cc1cc2nc(-c3ccc[nH]c3=O)[nH]c2cc1C.
What is the InChIKey of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is RFHFUGMAUREQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-8-6-11-12(7-9(8)2)17-13(16-11)10-4-3-5-15-14(10)18/h3-7H,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 239.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 2768946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).