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

C11H7F3N2O2 — CID 53416269

IUPAC2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-6(2-4-7)9-15-5-8(16-9)10(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyUGRQMXQUNSAUHD-UHFFFAOYSA-N
MW256.18 g/mol
LogP2.79
Rot. Bonds2

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

2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid (PubChem CID 53416269) has the molecular formula C11H7F3N2O2 and a molecular weight of 256.18 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid
PubChem CID53416269
Molecular FormulaC11H7F3N2O2
Molecular Weight256.18 g/mol
Exact Mass256.05
IUPAC Name2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-6(2-4-7)9-15-5-8(16-9)10(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyUGRQMXQUNSAUHD-UHFFFAOYSA-N
XLogP2.79
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid (CID 53416269) is 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is UGRQMXQUNSAUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-6(2-4-7)9-15-5-8(16-9)10(17)18/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid?
2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 256.18 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 53416269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).