ethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate

C15H15F3N2O3 — CID 162684166

IUPACethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccc(OC)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C15H15F3N2O3/c1-3-23-13(21)12-9-20(14(19-12)15(16,17)18)8-10-4-6-11(22-2)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyPZPZKPQHSBDVRM-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.14
Rot. Bonds5

About ethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate

ethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate (PubChem CID 162684166) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is ethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate
PubChem CID162684166
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Nameethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccc(OC)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C15H15F3N2O3/c1-3-23-13(21)12-9-20(14(19-12)15(16,17)18)8-10-4-6-11(22-2)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyPZPZKPQHSBDVRM-UHFFFAOYSA-N
XLogP3.14
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 12666140
ethyl 1-phenyl-2-(trifluoromethyl)imidazole-4-carboxylate
CID 170628931
ethyl 1-[(4-methoxyphenyl)methyl]-4-methyl-5-methylsulfanylpyrrole-3-carboxylate
CID 151363085
diethyl 2-[6-chloro-4-[(4-methoxyphenyl)methyl]-3-oxopyrazin-2-yl]propanedioate
CID 102289828
ethyl 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate
CID 66668814
ethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 71523887
ethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate
CID 142416598
ethyl 1-[(4-methylphenyl)methyl]triazole-4-carboxylate
CID 849724
5-O-ethyl 2-O-[(6-methoxynaphthalen-2-yl)methyl] 6-methylpyridine-2,5-dicarboxylate
CID 55633038
ethyl 1-benzyl-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 126676525
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
ethyl 5,8-difluoro-4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylate
CID 68559575

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate (CID 162684166) is ethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate is CCOC(=O)c1cn(Cc2ccc(OC)cc2)c(C(F)(F)F)n1.
What is the InChIKey of ethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate?
The InChIKey is PZPZKPQHSBDVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c1-3-23-13(21)12-9-20(14(19-12)15(16,17)18)8-10-4-6-11(22-2)7-5-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate?
ethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate has a molecular weight of 328.29 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate is sourced from PubChem (CID 162684166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).