ethyl 2-methyl-3-phenylimidazole-4-carboxylate

C13H14N2O2 — CID 134397442

IUPACethyl 2-methyl-3-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1cnc(C)n1-c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-3-17-13(16)12-9-14-10(2)15(12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyOFTIAVROKNQBJY-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.36
Rot. Bonds3

About ethyl 2-methyl-3-phenylimidazole-4-carboxylate

ethyl 2-methyl-3-phenylimidazole-4-carboxylate (PubChem CID 134397442) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is ethyl 2-methyl-3-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-3-phenylimidazole-4-carboxylate
PubChem CID134397442
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Nameethyl 2-methyl-3-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1cnc(C)n1-c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-3-17-13(16)12-9-14-10(2)15(12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyOFTIAVROKNQBJY-UHFFFAOYSA-N
XLogP2.36
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
diethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate
CID 10784928
ethyl 3-(ethoxymethyl)-2-methylimidazole-4-carboxylate
CID 134840870
(3-ethoxycarbonylfuran-2-yl)methyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 29486941
ethyl 2-chloro-3-(1-phenylethyl)imidazole-4-carboxylate
CID 145288794
ethyl 2-methyl-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxylate
CID 90397805
methane;2-methyl-3-phenylimidazol-4-ol
CID 174333802
3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 59588419
2,5-dimethyl-1-phenylimidazole;hydroiodide
CID 175442270
2-(2-fluorophenoxy)ethyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 29486807
2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 47110159
ethyl 6-chloro-5-fluoro-1-phenylindole-2-carboxylate
CID 155377277

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-phenylimidazole-4-carboxylate?
The IUPAC name of ethyl 2-methyl-3-phenylimidazole-4-carboxylate (CID 134397442) is ethyl 2-methyl-3-phenylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-methyl-3-phenylimidazole-4-carboxylate?
The canonical SMILES for ethyl 2-methyl-3-phenylimidazole-4-carboxylate is CCOC(=O)c1cnc(C)n1-c1ccccc1.
What is the InChIKey of ethyl 2-methyl-3-phenylimidazole-4-carboxylate?
The InChIKey is OFTIAVROKNQBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-17-13(16)12-9-14-10(2)15(12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-3-phenylimidazole-4-carboxylate?
ethyl 2-methyl-3-phenylimidazole-4-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-phenylimidazole-4-carboxylate is sourced from PubChem (CID 134397442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).