1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]ethanone

C17H16N2O2 — CID 583208

IUPAC1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCCn2cnc3ccccc32)cc1
InChIInChI=1S/C17H16N2O2/c1-13(20)14-6-8-15(9-7-14)21-11-10-19-12-18-16-4-2-3-5-17(16)19/h2-9,12H,10-11H2,1H3
InChIKeyIBUUYWMZAVMCIT-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.32
Rot. Bonds5

About 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]ethanone

1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]ethanone (PubChem CID 583208) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]ethanone
PubChem CID583208
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCCn2cnc3ccccc32)cc1
InChIInChI=1S/C17H16N2O2/c1-13(20)14-6-8-15(9-7-14)21-11-10-19-12-18-16-4-2-3-5-17(16)19/h2-9,12H,10-11H2,1H3
InChIKeyIBUUYWMZAVMCIT-UHFFFAOYSA-N
XLogP3.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]ethanone (CID 583208) is 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]ethanone is CC(=O)c1ccc(OCCn2cnc3ccccc32)cc1.
What is the InChIKey of 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]ethanone?
The InChIKey is IBUUYWMZAVMCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13(20)14-6-8-15(9-7-14)21-11-10-19-12-18-16-4-2-3-5-17(16)19/h2-9,12H,10-11H2,1H3.
What are the key properties of 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]ethanone?
1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]ethanone has a molecular weight of 280.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(benzimidazol-1-yl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 583208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).