1-(2-imidazol-1-ylphenyl)ethanone

C11H10N2O — CID 1473573

IUPAC1-(2-imidazol-1-ylphenyl)ethanone
SMILESCC(=O)c1ccccc1-n1ccnc1
InChIInChI=1S/C11H10N2O/c1-9(14)10-4-2-3-5-11(10)13-7-6-12-8-13/h2-8H,1H3
InChIKeyCUBZSVCEOTUDGR-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.07
Rot. Bonds2

About 1-(2-imidazol-1-ylphenyl)ethanone

1-(2-imidazol-1-ylphenyl)ethanone (PubChem CID 1473573) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-imidazol-1-ylphenyl)ethanone
PubChem CID1473573
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name1-(2-imidazol-1-ylphenyl)ethanone
SMILESCC(=O)c1ccccc1-n1ccnc1
InChIInChI=1S/C11H10N2O/c1-9(14)10-4-2-3-5-11(10)13-7-6-12-8-13/h2-8H,1H3
InChIKeyCUBZSVCEOTUDGR-UHFFFAOYSA-N
XLogP2.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-imidazol-1-ylphenyl)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-(2-imidazol-1-ylphenyl)ethanone?
The IUPAC name of 1-(2-imidazol-1-ylphenyl)ethanone (CID 1473573) is 1-(2-imidazol-1-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-imidazol-1-ylphenyl)ethanone?
The canonical SMILES for 1-(2-imidazol-1-ylphenyl)ethanone is CC(=O)c1ccccc1-n1ccnc1.
What is the InChIKey of 1-(2-imidazol-1-ylphenyl)ethanone?
The InChIKey is CUBZSVCEOTUDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-9(14)10-4-2-3-5-11(10)13-7-6-12-8-13/h2-8H,1H3.
What are the key properties of 1-(2-imidazol-1-ylphenyl)ethanone?
1-(2-imidazol-1-ylphenyl)ethanone has a molecular weight of 186.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylphenyl)ethanone is sourced from PubChem (CID 1473573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).