5-(5-bromo-2-fluorophenyl)-1H-imidazole-2-carboxylic acid

C10H6BrFN2O2 — CID 116878550

IUPAC5-(5-bromo-2-fluorophenyl)-1H-imidazole-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2cc(Br)ccc2F)[nH]1
InChIInChI=1S/C10H6BrFN2O2/c11-5-1-2-7(12)6(3-5)8-4-13-9(14-8)10(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyZXUGYJMHSQQZNS-UHFFFAOYSA-N
MW285.07 g/mol
LogP2.68
Rot. Bonds2

About 5-(5-bromo-2-fluorophenyl)-1H-imidazole-2-carboxylic acid

5-(5-bromo-2-fluorophenyl)-1H-imidazole-2-carboxylic acid (PubChem CID 116878550) has the molecular formula C10H6BrFN2O2 and a molecular weight of 285.07 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-1H-imidazole-2-carboxylic acid
PubChem CID116878550
Molecular FormulaC10H6BrFN2O2
Molecular Weight285.07 g/mol
Exact Mass283.96
IUPAC Name5-(5-bromo-2-fluorophenyl)-1H-imidazole-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2cc(Br)ccc2F)[nH]1
InChIInChI=1S/C10H6BrFN2O2/c11-5-1-2-7(12)6(3-5)8-4-13-9(14-8)10(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyZXUGYJMHSQQZNS-UHFFFAOYSA-N
XLogP2.68
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.07
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(5-bromo-2-fluorophenyl)-1H-imidazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-1H-imidazole-2-carboxylic acid?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-1H-imidazole-2-carboxylic acid (CID 116878550) is 5-(5-bromo-2-fluorophenyl)-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-1H-imidazole-2-carboxylic acid is O=C(O)c1ncc(-c2cc(Br)ccc2F)[nH]1.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-1H-imidazole-2-carboxylic acid?
The InChIKey is ZXUGYJMHSQQZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O2/c11-5-1-2-7(12)6(3-5)8-4-13-9(14-8)10(15)16/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-1H-imidazole-2-carboxylic acid?
5-(5-bromo-2-fluorophenyl)-1H-imidazole-2-carboxylic acid has a molecular weight of 285.07 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 116878550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).