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

C19H19N3O2 — CID 168555244

IUPAC1-[2-[2-(1H-benzimidazol-2-yl)phenoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C19H19N3O2/c23-18-10-5-11-22(18)12-13-24-17-9-4-1-6-14(17)19-20-15-7-2-3-8-16(15)21-19/h1-4,6-9H,5,10-13H2,(H,20,21)
InChIKeyPCCYAKYCGOWRDR-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.23
Rot. Bonds5

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

1-[2-[2-(1H-benzimidazol-2-yl)phenoxy]ethyl]pyrrolidin-2-one (PubChem CID 168555244) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[2-[2-(1H-benzimidazol-2-yl)phenoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(1H-benzimidazol-2-yl)phenoxy]ethyl]pyrrolidin-2-one
PubChem CID168555244
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-[2-[2-(1H-benzimidazol-2-yl)phenoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C19H19N3O2/c23-18-10-5-11-22(18)12-13-24-17-9-4-1-6-14(17)19-20-15-7-2-3-8-16(15)21-19/h1-4,6-9H,5,10-13H2,(H,20,21)
InChIKeyPCCYAKYCGOWRDR-UHFFFAOYSA-N
XLogP3.23
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1H-benzimidazol-2-yl)phenoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-(1H-benzimidazol-2-yl)phenoxy]ethyl]pyrrolidin-2-one (CID 168555244) is 1-[2-[2-(1H-benzimidazol-2-yl)phenoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-(1H-benzimidazol-2-yl)phenoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-(1H-benzimidazol-2-yl)phenoxy]ethyl]pyrrolidin-2-one is O=C1CCCN1CCOc1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[2-[2-(1H-benzimidazol-2-yl)phenoxy]ethyl]pyrrolidin-2-one?
The InChIKey is PCCYAKYCGOWRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18-10-5-11-22(18)12-13-24-17-9-4-1-6-14(17)19-20-15-7-2-3-8-16(15)21-19/h1-4,6-9H,5,10-13H2,(H,20,21).
What are the key properties of 1-[2-[2-(1H-benzimidazol-2-yl)phenoxy]ethyl]pyrrolidin-2-one?
1-[2-[2-(1H-benzimidazol-2-yl)phenoxy]ethyl]pyrrolidin-2-one has a molecular weight of 321.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1H-benzimidazol-2-yl)phenoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168555244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).