ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate

C14H14N2O4 — CID 11953753

IUPACethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(C(=O)OC)cc2)cn1
InChIInChI=1S/C14H14N2O4/c1-3-20-14(18)12-8-16(9-15-12)11-6-4-10(5-7-11)13(17)19-2/h4-9H,3H2,1-2H3
InChIKeyDNELYARNHZZONC-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.84
Rot. Bonds4

About ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate

ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate (PubChem CID 11953753) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate
PubChem CID11953753
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Nameethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(C(=O)OC)cc2)cn1
InChIInChI=1S/C14H14N2O4/c1-3-20-14(18)12-8-16(9-15-12)11-6-4-10(5-7-11)13(17)19-2/h4-9H,3H2,1-2H3
InChIKeyDNELYARNHZZONC-UHFFFAOYSA-N
XLogP1.84
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(4-methoxycarbonylphenyl)triazole-4-carboxylate
CID 122241318
ethyl 1-(3-fluoro-4-methylphenyl)imidazole-4-carboxylate
CID 114203638
ethyl 1-(4-bromo-3-fluorophenyl)imidazole-4-carboxylate
CID 114203737
CID 88893252
CID 88893252
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate
CID 114203645
ethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate
CID 114203723
ethyl 1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-4-carboxylate
CID 114203701
ethyl 1-(2-fluorophenyl)imidazole-4-carboxylate
CID 154325147
ethyl 4-pyrrol-1-ylbenzoate
CID 2736468
ethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate
CID 15069644
ethyl 1-(5-bromo-2-cyanophenyl)imidazole-4-carboxylate
CID 114203807

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate (CID 11953753) is ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate is CCOC(=O)c1cn(-c2ccc(C(=O)OC)cc2)cn1.
What is the InChIKey of ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate?
The InChIKey is DNELYARNHZZONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-20-14(18)12-8-16(9-15-12)11-6-4-10(5-7-11)13(17)19-2/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate?
ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate is sourced from PubChem (CID 11953753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).