2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1H-imidazole-5-carboxylic acid

C13H12F2N2O4 — CID 62252662

IUPAC2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1H-imidazole-5-carboxylic acid
SMILESCCOc1cc(-c2ncc(C(=O)O)[nH]2)ccc1OC(F)F
InChIInChI=1S/C13H12F2N2O4/c1-2-20-10-5-7(3-4-9(10)21-13(14)15)11-16-6-8(17-11)12(18)19/h3-6,13H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyQEIKZLNBFMYDPY-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.78
Rot. Bonds6

About 2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1H-imidazole-5-carboxylic acid

2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1H-imidazole-5-carboxylic acid (PubChem CID 62252662) has the molecular formula C13H12F2N2O4 and a molecular weight of 298.25 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1H-imidazole-5-carboxylic acid
PubChem CID62252662
Molecular FormulaC13H12F2N2O4
Molecular Weight298.25 g/mol
Exact Mass298.08
IUPAC Name2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1H-imidazole-5-carboxylic acid
SMILESCCOc1cc(-c2ncc(C(=O)O)[nH]2)ccc1OC(F)F
InChIInChI=1S/C13H12F2N2O4/c1-2-20-10-5-7(3-4-9(10)21-13(14)15)11-16-6-8(17-11)12(18)19/h3-6,13H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyQEIKZLNBFMYDPY-UHFFFAOYSA-N
XLogP2.78
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1H-imidazole-5-carboxylic acid (CID 62252662) is 2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1H-imidazole-5-carboxylic acid is CCOc1cc(-c2ncc(C(=O)O)[nH]2)ccc1OC(F)F.
What is the InChIKey of 2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is QEIKZLNBFMYDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O4/c1-2-20-10-5-7(3-4-9(10)21-13(14)15)11-16-6-8(17-11)12(18)19/h3-6,13H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1H-imidazole-5-carboxylic acid?
2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 298.25 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 62252662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).