ethyl 5-(3,4-difluorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate

C12H10F2N2O3 — CID 159678878

IUPACethyl 5-(3,4-difluorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)[nH]c1-c1ccc(F)c(F)c1
InChIInChI=1S/C12H10F2N2O3/c1-2-19-11(17)10-9(15-12(18)16-10)6-3-4-7(13)8(14)5-6/h3-5H,2H2,1H3,(H2,15,16,18)
InChIKeyMUYPHNGKXBIXJB-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.82
Rot. Bonds3

About ethyl 5-(3,4-difluorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate

ethyl 5-(3,4-difluorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate (PubChem CID 159678878) has the molecular formula C12H10F2N2O3 and a molecular weight of 268.22 g/mol. Its IUPAC name is ethyl 5-(3,4-difluorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3,4-difluorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate
PubChem CID159678878
Molecular FormulaC12H10F2N2O3
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Nameethyl 5-(3,4-difluorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)[nH]c1-c1ccc(F)c(F)c1
InChIInChI=1S/C12H10F2N2O3/c1-2-19-11(17)10-9(15-12(18)16-10)6-3-4-7(13)8(14)5-6/h3-5H,2H2,1H3,(H2,15,16,18)
InChIKeyMUYPHNGKXBIXJB-UHFFFAOYSA-N
XLogP1.82
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-(3,4-difluorophenyl)-2H-triazole-4-carboxylate
CID 169399055
ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate
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ethyl 4-(3,4-difluorophenyl)pyrimidine-2-carboxylate
CID 116903632
ethyl 3,5-difluoro-1H-pyrrole-2-carboxylate
CID 141419828
ethyl 5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylate
CID 42878867
ethyl 3,4-difluoro-1H-pyrrole-2-carboxylate
CID 164851464
ethyl 5-[4-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)phenyl]-3,4-diethyl-1H-pyrrole-2-carboxylate
CID 101267439
ethyl 5-(4-fluoro-3-methylphenyl)-2H-triazole-4-carboxylate
CID 169399097
5-(3,4-difluorophenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid
CID 116824051
ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237
ethyl 4,5-dichloro-3-(4-chlorophenyl)-1H-pyrrole-2-carboxylate
CID 177256247
ethyl 3-(4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxylate
CID 69402118

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3,4-difluorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The IUPAC name of ethyl 5-(3,4-difluorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate (CID 159678878) is ethyl 5-(3,4-difluorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(3,4-difluorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-(3,4-difluorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate is CCOC(=O)c1[nH]c(=O)[nH]c1-c1ccc(F)c(F)c1.
What is the InChIKey of ethyl 5-(3,4-difluorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The InChIKey is MUYPHNGKXBIXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3/c1-2-19-11(17)10-9(15-12(18)16-10)6-3-4-7(13)8(14)5-6/h3-5H,2H2,1H3,(H2,15,16,18).
What are the key properties of ethyl 5-(3,4-difluorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate?
ethyl 5-(3,4-difluorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate has a molecular weight of 268.22 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3,4-difluorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate is sourced from PubChem (CID 159678878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).