5-(1-phenylbenzimidazol-5-yl)-1-(2-piperidin-1-ylethyl)pyridin-2-one

C25H26N4O — CID 5329410

IUPAC5-(1-phenylbenzimidazol-5-yl)-1-(2-piperidin-1-ylethyl)pyridin-2-one
SMILESO=c1ccc(-c2ccc3c(c2)ncn3-c2ccccc2)cn1CCN1CCCCC1
InChIInChI=1S/C25H26N4O/c30-25-12-10-21(18-28(25)16-15-27-13-5-2-6-14-27)20-9-11-24-23(17-20)26-19-29(24)22-7-3-1-4-8-22/h1,3-4,7-12,17-19H,2,5-6,13-16H2
InChIKeySTVCOQYKEITJLP-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.34
Rot. Bonds5

About 5-(1-phenylbenzimidazol-5-yl)-1-(2-piperidin-1-ylethyl)pyridin-2-one

5-(1-phenylbenzimidazol-5-yl)-1-(2-piperidin-1-ylethyl)pyridin-2-one (PubChem CID 5329410) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 5-(1-phenylbenzimidazol-5-yl)-1-(2-piperidin-1-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-(1-phenylbenzimidazol-5-yl)-1-(2-piperidin-1-ylethyl)pyridin-2-one
PubChem CID5329410
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name5-(1-phenylbenzimidazol-5-yl)-1-(2-piperidin-1-ylethyl)pyridin-2-one
SMILESO=c1ccc(-c2ccc3c(c2)ncn3-c2ccccc2)cn1CCN1CCCCC1
InChIInChI=1S/C25H26N4O/c30-25-12-10-21(18-28(25)16-15-27-13-5-2-6-14-27)20-9-11-24-23(17-20)26-19-29(24)22-7-3-1-4-8-22/h1,3-4,7-12,17-19H,2,5-6,13-16H2
InChIKeySTVCOQYKEITJLP-UHFFFAOYSA-N
XLogP4.34
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylbenzimidazol-5-yl)-1-(2-piperidin-1-ylethyl)pyridin-2-one?
The IUPAC name of 5-(1-phenylbenzimidazol-5-yl)-1-(2-piperidin-1-ylethyl)pyridin-2-one (CID 5329410) is 5-(1-phenylbenzimidazol-5-yl)-1-(2-piperidin-1-ylethyl)pyridin-2-one.
What is the SMILES notation for 5-(1-phenylbenzimidazol-5-yl)-1-(2-piperidin-1-ylethyl)pyridin-2-one?
The canonical SMILES for 5-(1-phenylbenzimidazol-5-yl)-1-(2-piperidin-1-ylethyl)pyridin-2-one is O=c1ccc(-c2ccc3c(c2)ncn3-c2ccccc2)cn1CCN1CCCCC1.
What is the InChIKey of 5-(1-phenylbenzimidazol-5-yl)-1-(2-piperidin-1-ylethyl)pyridin-2-one?
The InChIKey is STVCOQYKEITJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c30-25-12-10-21(18-28(25)16-15-27-13-5-2-6-14-27)20-9-11-24-23(17-20)26-19-29(24)22-7-3-1-4-8-22/h1,3-4,7-12,17-19H,2,5-6,13-16H2.
What are the key properties of 5-(1-phenylbenzimidazol-5-yl)-1-(2-piperidin-1-ylethyl)pyridin-2-one?
5-(1-phenylbenzimidazol-5-yl)-1-(2-piperidin-1-ylethyl)pyridin-2-one has a molecular weight of 398.51 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylbenzimidazol-5-yl)-1-(2-piperidin-1-ylethyl)pyridin-2-one is sourced from PubChem (CID 5329410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).