ethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate

C13H12F2N2O3 — CID 155342529

IUPACethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cncn1-c1ccccc1OC(F)F
InChIInChI=1S/C13H12F2N2O3/c1-2-19-12(18)10-7-16-8-17(10)9-5-3-4-6-11(9)20-13(14)15/h3-8,13H,2H2,1H3
InChIKeyBTPQPRXQEYUWIT-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.65
Rot. Bonds5

About ethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate

ethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate (PubChem CID 155342529) has the molecular formula C13H12F2N2O3 and a molecular weight of 282.25 g/mol. Its IUPAC name is ethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate
PubChem CID155342529
Molecular FormulaC13H12F2N2O3
Molecular Weight282.25 g/mol
Exact Mass282.08
IUPAC Nameethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cncn1-c1ccccc1OC(F)F
InChIInChI=1S/C13H12F2N2O3/c1-2-19-12(18)10-7-16-8-17(10)9-5-3-4-6-11(9)20-13(14)15/h3-8,13H,2H2,1H3
InChIKeyBTPQPRXQEYUWIT-UHFFFAOYSA-N
XLogP2.65
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(3-ethoxycarbonyl-2-nitrosophenyl)imidazole-4-carboxylate
CID 89015621
ethyl 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate
CID 142317159
ethyl 3-(6-phenylpyridazin-3-yl)imidazole-4-carboxylate
CID 134397415
2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708064
ethyl 3-(3H-isoindol-1-yl)imidazole-4-carboxylate
CID 159425134
ethane;ethyl 3-(1H-pyrazol-5-yl)imidazole-4-carboxylate
CID 142316978
ethyl 3-[2-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxylate
CID 63381732
1-[2-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid
CID 43477022
ethane;ethyl 3-aminoimidazole-4-carboxylate
CID 145329621
ethyl 3-[2-(1,2-dibromopropan-2-yl)-6-methylphenyl]imidazole-4-carboxylate
CID 70416355
1-[2-(difluoromethoxy)phenyl]-5-methylpyrazole-3-carboxylic acid
CID 105421474
1-[2-(difluoromethoxy)phenyl]-N-methoxy-5-methyl-4-oxopyridazine-3-carboxamide
CID 58072502

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate (CID 155342529) is ethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate is CCOC(=O)c1cncn1-c1ccccc1OC(F)F.
What is the InChIKey of ethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate?
The InChIKey is BTPQPRXQEYUWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3/c1-2-19-12(18)10-7-16-8-17(10)9-5-3-4-6-11(9)20-13(14)15/h3-8,13H,2H2,1H3.
What are the key properties of ethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate?
ethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate has a molecular weight of 282.25 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate is sourced from PubChem (CID 155342529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).