ethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate

C20H20N2O4 — CID 15466903

IUPACethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate
SMILESCCOC(=O)c1ccccc1-n1c(C)cn(-c2ccc(OC)cc2)c1=O
InChIInChI=1S/C20H20N2O4/c1-4-26-19(23)17-7-5-6-8-18(17)22-14(2)13-21(20(22)24)15-9-11-16(25-3)12-10-15/h5-13H,4H2,1-3H3
InChIKeyHBMXNRBBNVIOGO-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.12
Rot. Bonds5

About ethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate

ethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate (PubChem CID 15466903) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate
PubChem CID15466903
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Nameethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate
SMILESCCOC(=O)c1ccccc1-n1c(C)cn(-c2ccc(OC)cc2)c1=O
InChIInChI=1S/C20H20N2O4/c1-4-26-19(23)17-7-5-6-8-18(17)22-14(2)13-21(20(22)24)15-9-11-16(25-3)12-10-15/h5-13H,4H2,1-3H3
InChIKeyHBMXNRBBNVIOGO-UHFFFAOYSA-N
XLogP3.12
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 101063451
ethyl 6,7,8-trifluoro-1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylate
CID 23359023
2-ethoxyethyl 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 53092714
ethyl 2-pyrrol-1-ylbenzoate
CID 12673310
diethyl 4-(4-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 12574229
ethyl 2-(5-methoxybenzotriazol-1-yl)benzoate
CID 102097625
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
ethyl 3-bromo-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 138506113
ethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate
CID 71576576
ethyl 5-(diethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate
CID 71599545
ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
CID 132502510
diethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 3792591

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate?
The IUPAC name of ethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate (CID 15466903) is ethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate.
What is the SMILES notation for ethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate?
The canonical SMILES for ethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate is CCOC(=O)c1ccccc1-n1c(C)cn(-c2ccc(OC)cc2)c1=O.
What is the InChIKey of ethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate?
The InChIKey is HBMXNRBBNVIOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-4-26-19(23)17-7-5-6-8-18(17)22-14(2)13-21(20(22)24)15-9-11-16(25-3)12-10-15/h5-13H,4H2,1-3H3.
What are the key properties of ethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate?
ethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate has a molecular weight of 352.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate is sourced from PubChem (CID 15466903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).