2-[4-(trifluoromethyl)phenoxy]-1H-imidazole-5-carboxylic acid

C11H7F3N2O3 — CID 117189542

IUPAC2-[4-(trifluoromethyl)phenoxy]-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Oc2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)6-1-3-7(4-2-6)19-10-15-5-8(16-10)9(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyDKVDAWDCZQETFM-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.92
Rot. Bonds3

About 2-[4-(trifluoromethyl)phenoxy]-1H-imidazole-5-carboxylic acid

2-[4-(trifluoromethyl)phenoxy]-1H-imidazole-5-carboxylic acid (PubChem CID 117189542) has the molecular formula C11H7F3N2O3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenoxy]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenoxy]-1H-imidazole-5-carboxylic acid
PubChem CID117189542
Molecular FormulaC11H7F3N2O3
Molecular Weight272.18 g/mol
Exact Mass272.04
IUPAC Name2-[4-(trifluoromethyl)phenoxy]-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Oc2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)6-1-3-7(4-2-6)19-10-15-5-8(16-10)9(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyDKVDAWDCZQETFM-UHFFFAOYSA-N
XLogP2.92
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid
CID 117231567
2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxylic acid
CID 18469019
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
N-hydroxy-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 135313676
3,5-dimethoxy-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 170440976
azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 162540820
4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole
CID 117233520
5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-2-carboxylic acid
CID 117192357
2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxylic acid
CID 117189251
5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 60987032
3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 29080706
2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 154115475

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenoxy]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[4-(trifluoromethyl)phenoxy]-1H-imidazole-5-carboxylic acid (CID 117189542) is 2-[4-(trifluoromethyl)phenoxy]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenoxy]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)phenoxy]-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(Oc2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenoxy]-1H-imidazole-5-carboxylic acid?
The InChIKey is DKVDAWDCZQETFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3/c12-11(13,14)6-1-3-7(4-2-6)19-10-15-5-8(16-10)9(17)18/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 2-[4-(trifluoromethyl)phenoxy]-1H-imidazole-5-carboxylic acid?
2-[4-(trifluoromethyl)phenoxy]-1H-imidazole-5-carboxylic acid has a molecular weight of 272.18 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenoxy]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 117189542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).