ethyl 3-(2-hydroxyphenyl)-2-oxo-4-phenyl-1H-imidazole-5-carboxylate

C18H16N2O4 — CID 143725384

IUPACethyl 3-(2-hydroxyphenyl)-2-oxo-4-phenyl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)n(-c2ccccc2O)c1-c1ccccc1
InChIInChI=1S/C18H16N2O4/c1-2-24-17(22)15-16(12-8-4-3-5-9-12)20(18(23)19-15)13-10-6-7-11-14(13)21/h3-11,21H,2H2,1H3,(H,19,23)
InChIKeyQCJFBBNSNWLGSJ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.71
Rot. Bonds4

About ethyl 3-(2-hydroxyphenyl)-2-oxo-4-phenyl-1H-imidazole-5-carboxylate

ethyl 3-(2-hydroxyphenyl)-2-oxo-4-phenyl-1H-imidazole-5-carboxylate (PubChem CID 143725384) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is ethyl 3-(2-hydroxyphenyl)-2-oxo-4-phenyl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-hydroxyphenyl)-2-oxo-4-phenyl-1H-imidazole-5-carboxylate
PubChem CID143725384
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Nameethyl 3-(2-hydroxyphenyl)-2-oxo-4-phenyl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)n(-c2ccccc2O)c1-c1ccccc1
InChIInChI=1S/C18H16N2O4/c1-2-24-17(22)15-16(12-8-4-3-5-9-12)20(18(23)19-15)13-10-6-7-11-14(13)21/h3-11,21H,2H2,1H3,(H,19,23)
InChIKeyQCJFBBNSNWLGSJ-UHFFFAOYSA-N
XLogP2.71
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 3-(5-ethoxycarbonyl-2-oxo-4-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate
CID 59292287
2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid
CID 24998965
ethyl 2-(2-chlorophenyl)-3-oxo-4-phenyl-1H-pyrazole-5-carboxylate
CID 134087044
diethyl 5-[3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrol-2-yl]-3-phenyl-1H-pyrrole-2,4-dicarboxylate
CID 11731481
ethyl 3-phenyl-1H-pyrrole-2-carboxylate
CID 11790592
ethyl 1-acetyl-4-methyl-5-phenylpyrrole-3-carboxylate
CID 4680387
ethyl 5-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,2-diphenylpyrrole-3-carboxylate
CID 134158522
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 4-benzoyl-3,5-diphenyl-1H-pyrrole-2-carboxylate
CID 146163429
ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate
CID 14075368
ethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate
CID 134910208

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-hydroxyphenyl)-2-oxo-4-phenyl-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 3-(2-hydroxyphenyl)-2-oxo-4-phenyl-1H-imidazole-5-carboxylate (CID 143725384) is ethyl 3-(2-hydroxyphenyl)-2-oxo-4-phenyl-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(2-hydroxyphenyl)-2-oxo-4-phenyl-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 3-(2-hydroxyphenyl)-2-oxo-4-phenyl-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]c(=O)n(-c2ccccc2O)c1-c1ccccc1.
What is the InChIKey of ethyl 3-(2-hydroxyphenyl)-2-oxo-4-phenyl-1H-imidazole-5-carboxylate?
The InChIKey is QCJFBBNSNWLGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-2-24-17(22)15-16(12-8-4-3-5-9-12)20(18(23)19-15)13-10-6-7-11-14(13)21/h3-11,21H,2H2,1H3,(H,19,23).
What are the key properties of ethyl 3-(2-hydroxyphenyl)-2-oxo-4-phenyl-1H-imidazole-5-carboxylate?
ethyl 3-(2-hydroxyphenyl)-2-oxo-4-phenyl-1H-imidazole-5-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-hydroxyphenyl)-2-oxo-4-phenyl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 143725384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).