1-[1-(benzimidazol-1-yl)ethyl]pyrrolidin-2-one

C13H15N3O — CID 3073531

IUPAC1-[1-(benzimidazol-1-yl)ethyl]pyrrolidin-2-one
SMILESCC(N1CCCC1=O)n1cnc2ccccc21
InChIInChI=1S/C13H15N3O/c1-10(15-8-4-7-13(15)17)16-9-14-11-5-2-3-6-12(11)16/h2-3,5-6,9-10H,4,7-8H2,1H3
InChIKeyHYCKLLPAYBILLD-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.18
Rot. Bonds2

About 1-[1-(benzimidazol-1-yl)ethyl]pyrrolidin-2-one

1-[1-(benzimidazol-1-yl)ethyl]pyrrolidin-2-one (PubChem CID 3073531) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[1-(benzimidazol-1-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(benzimidazol-1-yl)ethyl]pyrrolidin-2-one
PubChem CID3073531
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-[1-(benzimidazol-1-yl)ethyl]pyrrolidin-2-one
SMILESCC(N1CCCC1=O)n1cnc2ccccc21
InChIInChI=1S/C13H15N3O/c1-10(15-8-4-7-13(15)17)16-9-14-11-5-2-3-6-12(11)16/h2-3,5-6,9-10H,4,7-8H2,1H3
InChIKeyHYCKLLPAYBILLD-UHFFFAOYSA-N
XLogP2.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzimidazol-1-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(benzimidazol-1-yl)ethyl]pyrrolidin-2-one (CID 3073531) is 1-[1-(benzimidazol-1-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(benzimidazol-1-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(benzimidazol-1-yl)ethyl]pyrrolidin-2-one is CC(N1CCCC1=O)n1cnc2ccccc21.
What is the InChIKey of 1-[1-(benzimidazol-1-yl)ethyl]pyrrolidin-2-one?
The InChIKey is HYCKLLPAYBILLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10(15-8-4-7-13(15)17)16-9-14-11-5-2-3-6-12(11)16/h2-3,5-6,9-10H,4,7-8H2,1H3.
What are the key properties of 1-[1-(benzimidazol-1-yl)ethyl]pyrrolidin-2-one?
1-[1-(benzimidazol-1-yl)ethyl]pyrrolidin-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzimidazol-1-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 3073531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).