1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone

C21H20N2O2 — CID 90144829

IUPAC1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone
SMILESCC(=O)c1cn(Cc2ccccc2)c(-c2ccc(C)cc2C(C)=O)n1
InChIInChI=1S/C21H20N2O2/c1-14-9-10-18(19(11-14)15(2)24)21-22-20(16(3)25)13-23(21)12-17-7-5-4-6-8-17/h4-11,13H,12H2,1-3H3
InChIKeyASMNNSLFOQYLIB-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.31
Rot. Bonds5

About 1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone

1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone (PubChem CID 90144829) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone
PubChem CID90144829
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone
SMILESCC(=O)c1cn(Cc2ccccc2)c(-c2ccc(C)cc2C(C)=O)n1
InChIInChI=1S/C21H20N2O2/c1-14-9-10-18(19(11-14)15(2)24)21-22-20(16(3)25)13-23(21)12-17-7-5-4-6-8-17/h4-11,13H,12H2,1-3H3
InChIKeyASMNNSLFOQYLIB-UHFFFAOYSA-N
XLogP4.31
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone?
The IUPAC name of 1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone (CID 90144829) is 1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone.
What is the SMILES notation for 1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone?
The canonical SMILES for 1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone is CC(=O)c1cn(Cc2ccccc2)c(-c2ccc(C)cc2C(C)=O)n1.
What is the InChIKey of 1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone?
The InChIKey is ASMNNSLFOQYLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14-9-10-18(19(11-14)15(2)24)21-22-20(16(3)25)13-23(21)12-17-7-5-4-6-8-17/h4-11,13H,12H2,1-3H3.
What are the key properties of 1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone?
1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone has a molecular weight of 332.40 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone is sourced from PubChem (CID 90144829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).