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

C12H10F2N2O4 — CID 62251531

IUPAC2-[3-(difluoromethoxy)-4-methoxyphenyl]-1H-imidazole-5-carboxylic acid
SMILESCOc1ccc(-c2ncc(C(=O)O)[nH]2)cc1OC(F)F
InChIInChI=1S/C12H10F2N2O4/c1-19-8-3-2-6(4-9(8)20-12(13)14)10-15-5-7(16-10)11(17)18/h2-5,12H,1H3,(H,15,16)(H,17,18)
InChIKeyJALJRSMCLHDMNG-UHFFFAOYSA-N
MW284.22 g/mol
LogP2.38
Rot. Bonds5

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

2-[3-(difluoromethoxy)-4-methoxyphenyl]-1H-imidazole-5-carboxylic acid (PubChem CID 62251531) has the molecular formula C12H10F2N2O4 and a molecular weight of 284.22 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)-4-methoxyphenyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)-4-methoxyphenyl]-1H-imidazole-5-carboxylic acid
PubChem CID62251531
Molecular FormulaC12H10F2N2O4
Molecular Weight284.22 g/mol
Exact Mass284.06
IUPAC Name2-[3-(difluoromethoxy)-4-methoxyphenyl]-1H-imidazole-5-carboxylic acid
SMILESCOc1ccc(-c2ncc(C(=O)O)[nH]2)cc1OC(F)F
InChIInChI=1S/C12H10F2N2O4/c1-19-8-3-2-6(4-9(8)20-12(13)14)10-15-5-7(16-10)11(17)18/h2-5,12H,1H3,(H,15,16)(H,17,18)
InChIKeyJALJRSMCLHDMNG-UHFFFAOYSA-N
XLogP2.38
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)-4-methoxyphenyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[3-(difluoromethoxy)-4-methoxyphenyl]-1H-imidazole-5-carboxylic acid (CID 62251531) is 2-[3-(difluoromethoxy)-4-methoxyphenyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[3-(difluoromethoxy)-4-methoxyphenyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[3-(difluoromethoxy)-4-methoxyphenyl]-1H-imidazole-5-carboxylic acid is COc1ccc(-c2ncc(C(=O)O)[nH]2)cc1OC(F)F.
What is the InChIKey of 2-[3-(difluoromethoxy)-4-methoxyphenyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is JALJRSMCLHDMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O4/c1-19-8-3-2-6(4-9(8)20-12(13)14)10-15-5-7(16-10)11(17)18/h2-5,12H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[3-(difluoromethoxy)-4-methoxyphenyl]-1H-imidazole-5-carboxylic acid?
2-[3-(difluoromethoxy)-4-methoxyphenyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 284.22 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)-4-methoxyphenyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 62251531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).