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

C15H15N3O — CID 136577815

IUPAC5-(1-propylbenzimidazol-2-yl)-1H-pyridin-2-one
SMILESCCCn1c(-c2ccc(=O)[nH]c2)nc2ccccc21
InChIInChI=1S/C15H15N3O/c1-2-9-18-13-6-4-3-5-12(13)17-15(18)11-7-8-14(19)16-10-11/h3-8,10H,2,9H2,1H3,(H,16,19)
InChIKeyLWEPJVUPZWLVSZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.80
Rot. Bonds3

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

5-(1-propylbenzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 136577815) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-(1-propylbenzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1-propylbenzimidazol-2-yl)-1H-pyridin-2-one
PubChem CID136577815
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name5-(1-propylbenzimidazol-2-yl)-1H-pyridin-2-one
SMILESCCCn1c(-c2ccc(=O)[nH]c2)nc2ccccc21
InChIInChI=1S/C15H15N3O/c1-2-9-18-13-6-4-3-5-12(13)17-15(18)11-7-8-14(19)16-10-11/h3-8,10H,2,9H2,1H3,(H,16,19)
InChIKeyLWEPJVUPZWLVSZ-UHFFFAOYSA-N
XLogP2.80
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-propylbenzimidazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(1-propylbenzimidazol-2-yl)-1H-pyridin-2-one (CID 136577815) is 5-(1-propylbenzimidazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1-propylbenzimidazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1-propylbenzimidazol-2-yl)-1H-pyridin-2-one is CCCn1c(-c2ccc(=O)[nH]c2)nc2ccccc21.
What is the InChIKey of 5-(1-propylbenzimidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is LWEPJVUPZWLVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-9-18-13-6-4-3-5-12(13)17-15(18)11-7-8-14(19)16-10-11/h3-8,10H,2,9H2,1H3,(H,16,19).
What are the key properties of 5-(1-propylbenzimidazol-2-yl)-1H-pyridin-2-one?
5-(1-propylbenzimidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 253.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propylbenzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 136577815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).