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

C11H6BrF3N2O2 — CID 62690174

IUPAC2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(Br)cc2C(F)(F)F)[nH]1
InChIInChI=1S/C11H6BrF3N2O2/c12-5-1-2-6(7(3-5)11(13,14)15)9-16-4-8(17-9)10(18)19/h1-4H,(H,16,17)(H,18,19)
InChIKeyULARQRZDKBHVOM-UHFFFAOYSA-N
MW335.08 g/mol
LogP3.56
Rot. Bonds2

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

2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid (PubChem CID 62690174) has the molecular formula C11H6BrF3N2O2 and a molecular weight of 335.08 g/mol. Its IUPAC name is 2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid
PubChem CID62690174
Molecular FormulaC11H6BrF3N2O2
Molecular Weight335.08 g/mol
Exact Mass333.96
IUPAC Name2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(Br)cc2C(F)(F)F)[nH]1
InChIInChI=1S/C11H6BrF3N2O2/c12-5-1-2-6(7(3-5)11(13,14)15)9-16-4-8(17-9)10(18)19/h1-4H,(H,16,17)(H,18,19)
InChIKeyULARQRZDKBHVOM-UHFFFAOYSA-N
XLogP3.56
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.08
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid (CID 62690174) is 2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(-c2ccc(Br)cc2C(F)(F)F)[nH]1.
What is the InChIKey of 2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is ULARQRZDKBHVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF3N2O2/c12-5-1-2-6(7(3-5)11(13,14)15)9-16-4-8(17-9)10(18)19/h1-4H,(H,16,17)(H,18,19).
What are the key properties of 2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid?
2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 335.08 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 62690174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).