2-(2-benzoylimidazol-1-yl)-1-(4-methylphenyl)ethanone

C19H16N2O2 — CID 11266682

IUPAC2-(2-benzoylimidazol-1-yl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cn2ccnc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H16N2O2/c1-14-7-9-15(10-8-14)17(22)13-21-12-11-20-19(21)18(23)16-5-3-2-4-6-16/h2-12H,13H2,1H3
InChIKeyAAINHSVAINFBSO-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.31
Rot. Bonds5

About 2-(2-benzoylimidazol-1-yl)-1-(4-methylphenyl)ethanone

2-(2-benzoylimidazol-1-yl)-1-(4-methylphenyl)ethanone (PubChem CID 11266682) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(2-benzoylimidazol-1-yl)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-benzoylimidazol-1-yl)-1-(4-methylphenyl)ethanone
PubChem CID11266682
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-(2-benzoylimidazol-1-yl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cn2ccnc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H16N2O2/c1-14-7-9-15(10-8-14)17(22)13-21-12-11-20-19(21)18(23)16-5-3-2-4-6-16/h2-12H,13H2,1H3
InChIKeyAAINHSVAINFBSO-UHFFFAOYSA-N
XLogP3.31
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylimidazol-1-yl)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(2-benzoylimidazol-1-yl)-1-(4-methylphenyl)ethanone (CID 11266682) is 2-(2-benzoylimidazol-1-yl)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-benzoylimidazol-1-yl)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(2-benzoylimidazol-1-yl)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)Cn2ccnc2C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(2-benzoylimidazol-1-yl)-1-(4-methylphenyl)ethanone?
The InChIKey is AAINHSVAINFBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-14-7-9-15(10-8-14)17(22)13-21-12-11-20-19(21)18(23)16-5-3-2-4-6-16/h2-12H,13H2,1H3.
What are the key properties of 2-(2-benzoylimidazol-1-yl)-1-(4-methylphenyl)ethanone?
2-(2-benzoylimidazol-1-yl)-1-(4-methylphenyl)ethanone has a molecular weight of 304.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylimidazol-1-yl)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 11266682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).