1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone

C16H14N2O2 — CID 3253388

IUPAC1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)n1cnc2ccccc21
InChIInChI=1S/C16H14N2O2/c1-20-15-9-5-2-6-12(15)10-16(19)18-11-17-13-7-3-4-8-14(13)18/h2-9,11H,10H2,1H3
InChIKeyPYUOPQPOWJZKKV-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.93
Rot. Bonds3

About 1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone

1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone (PubChem CID 3253388) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone
PubChem CID3253388
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)n1cnc2ccccc21
InChIInChI=1S/C16H14N2O2/c1-20-15-9-5-2-6-12(15)10-16(19)18-11-17-13-7-3-4-8-14(13)18/h2-9,11H,10H2,1H3
InChIKeyPYUOPQPOWJZKKV-UHFFFAOYSA-N
XLogP2.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)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-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone (CID 3253388) is 1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)n1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone?
The InChIKey is PYUOPQPOWJZKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-15-9-5-2-6-12(15)10-16(19)18-11-17-13-7-3-4-8-14(13)18/h2-9,11H,10H2,1H3.
What are the key properties of 1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone?
1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone has a molecular weight of 266.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 3253388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).