ethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate

C13H12F2N2O2 — CID 62227384

IUPACethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(F)cc2F)[nH]c1C
InChIInChI=1S/C13H12F2N2O2/c1-3-19-13(18)11-7(2)16-12(17-11)9-5-4-8(14)6-10(9)15/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyIUDBMHLHVNKFHJ-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.84
Rot. Bonds3

About ethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate

ethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate (PubChem CID 62227384) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is ethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
PubChem CID62227384
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Nameethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(F)cc2F)[nH]c1C
InChIInChI=1S/C13H12F2N2O2/c1-3-19-13(18)11-7(2)16-12(17-11)9-5-4-8(14)6-10(9)15/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyIUDBMHLHVNKFHJ-UHFFFAOYSA-N
XLogP2.84
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445087
ethyl 2-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 123850152
propan-2-yl 2-(2,5-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 63793944
ethyl 2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 62533448
ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445075
ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate
CID 53404405
ethyl 2-(4-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445125
ethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 67454300
ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate
CID 70858476
5-tert-butyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxylic acid
CID 62227006
CID 177047247
CID 177047247
(2-fluoro-4-methylphenyl)methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate
CID 166392306

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate?
The IUPAC name of ethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate (CID 62227384) is ethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate is CCOC(=O)c1nc(-c2ccc(F)cc2F)[nH]c1C.
What is the InChIKey of ethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate?
The InChIKey is IUDBMHLHVNKFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c1-3-19-13(18)11-7(2)16-12(17-11)9-5-4-8(14)6-10(9)15/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate?
ethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate has a molecular weight of 266.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 62227384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).