[2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate

C19H16N2O3 — CID 23915920

IUPAC[2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
SMILESCc1ccc(C(=O)COC(=O)c2ccc(-c3ncc[nH]3)cc2)cc1
InChIInChI=1S/C19H16N2O3/c1-13-2-4-14(5-3-13)17(22)12-24-19(23)16-8-6-15(7-9-16)18-20-10-11-21-18/h2-11H,12H2,1H3,(H,20,21)
InChIKeyPWHRMXAAEDLPCY-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.42
Rot. Bonds5

About [2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate

[2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate (PubChem CID 23915920) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
PubChem CID23915920
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
SMILESCc1ccc(C(=O)COC(=O)c2ccc(-c3ncc[nH]3)cc2)cc1
InChIInChI=1S/C19H16N2O3/c1-13-2-4-14(5-3-13)17(22)12-24-19(23)16-8-6-15(7-9-16)18-20-10-11-21-18/h2-11H,12H2,1H3,(H,20,21)
InChIKeyPWHRMXAAEDLPCY-UHFFFAOYSA-N
XLogP3.42
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23744377
methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate
CID 23943561
[2-(4-ethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 902784
[2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23999278
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-methylbenzoate
CID 3999225
[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 25036442
[2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate
CID 139830728
4-(1H-imidazol-2-yl)benzoate
CID 6986647
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23999606
[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate
CID 25039785
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 882281
4-O-[2-(4-fluorophenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239651

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate (CID 23915920) is [2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate is Cc1ccc(C(=O)COC(=O)c2ccc(-c3ncc[nH]3)cc2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
The InChIKey is PWHRMXAAEDLPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-13-2-4-14(5-3-13)17(22)12-24-19(23)16-8-6-15(7-9-16)18-20-10-11-21-18/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
[2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate has a molecular weight of 320.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate is sourced from PubChem (CID 23915920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).