5-(1,5,6-trimethylbenzimidazol-2-yl)-1H-pyridin-2-one

C15H15N3O — CID 2768966

IUPAC5-(1,5,6-trimethylbenzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1cc2nc(-c3ccc(=O)[nH]c3)n(C)c2cc1C
InChIInChI=1S/C15H15N3O/c1-9-6-12-13(7-10(9)2)18(3)15(17-12)11-4-5-14(19)16-8-11/h4-8H,1-3H3,(H,16,19)
InChIKeyADFJDRXUKAHTAY-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.55
Rot. Bonds1

About 5-(1,5,6-trimethylbenzimidazol-2-yl)-1H-pyridin-2-one

5-(1,5,6-trimethylbenzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 2768966) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-(1,5,6-trimethylbenzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1,5,6-trimethylbenzimidazol-2-yl)-1H-pyridin-2-one
PubChem CID2768966
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name5-(1,5,6-trimethylbenzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1cc2nc(-c3ccc(=O)[nH]c3)n(C)c2cc1C
InChIInChI=1S/C15H15N3O/c1-9-6-12-13(7-10(9)2)18(3)15(17-12)11-4-5-14(19)16-8-11/h4-8H,1-3H3,(H,16,19)
InChIKeyADFJDRXUKAHTAY-UHFFFAOYSA-N
XLogP2.55
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,5,6-trimethylbenzimidazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(1,5,6-trimethylbenzimidazol-2-yl)-1H-pyridin-2-one (CID 2768966) is 5-(1,5,6-trimethylbenzimidazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1,5,6-trimethylbenzimidazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1,5,6-trimethylbenzimidazol-2-yl)-1H-pyridin-2-one is Cc1cc2nc(-c3ccc(=O)[nH]c3)n(C)c2cc1C.
What is the InChIKey of 5-(1,5,6-trimethylbenzimidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is ADFJDRXUKAHTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-6-12-13(7-10(9)2)18(3)15(17-12)11-4-5-14(19)16-8-11/h4-8H,1-3H3,(H,16,19).
What are the key properties of 5-(1,5,6-trimethylbenzimidazol-2-yl)-1H-pyridin-2-one?
5-(1,5,6-trimethylbenzimidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 253.30 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5,6-trimethylbenzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 2768966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).