1-bromo-7-fluoro-4H-imidazo[1,2-a]benzimidazole-2-carboxylic acid

C10H5BrFN3O2 — CID 84644450

IUPAC1-bromo-7-fluoro-4H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2[nH]c3ccc(F)cc3n2c1Br
InChIInChI=1S/C10H5BrFN3O2/c11-8-7(9(16)17)14-10-13-5-2-1-4(12)3-6(5)15(8)10/h1-3H,(H,13,14)(H,16,17)
InChIKeySVGCVRWRODLQLH-UHFFFAOYSA-N
MW298.07 g/mol
LogP2.42
Rot. Bonds1

About 1-bromo-7-fluoro-4H-imidazo[1,2-a]benzimidazole-2-carboxylic acid

1-bromo-7-fluoro-4H-imidazo[1,2-a]benzimidazole-2-carboxylic acid (PubChem CID 84644450) has the molecular formula C10H5BrFN3O2 and a molecular weight of 298.07 g/mol. Its IUPAC name is 1-bromo-7-fluoro-4H-imidazo[1,2-a]benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-bromo-7-fluoro-4H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
PubChem CID84644450
Molecular FormulaC10H5BrFN3O2
Molecular Weight298.07 g/mol
Exact Mass296.95
IUPAC Name1-bromo-7-fluoro-4H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2[nH]c3ccc(F)cc3n2c1Br
InChIInChI=1S/C10H5BrFN3O2/c11-8-7(9(16)17)14-10-13-5-2-1-4(12)3-6(5)15(8)10/h1-3H,(H,13,14)(H,16,17)
InChIKeySVGCVRWRODLQLH-UHFFFAOYSA-N
XLogP2.42
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.07
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-fluoro-4H-imidazo[1,2-a]benzimidazole-2-carboxylic acid?
The IUPAC name of 1-bromo-7-fluoro-4H-imidazo[1,2-a]benzimidazole-2-carboxylic acid (CID 84644450) is 1-bromo-7-fluoro-4H-imidazo[1,2-a]benzimidazole-2-carboxylic acid.
What is the SMILES notation for 1-bromo-7-fluoro-4H-imidazo[1,2-a]benzimidazole-2-carboxylic acid?
The canonical SMILES for 1-bromo-7-fluoro-4H-imidazo[1,2-a]benzimidazole-2-carboxylic acid is O=C(O)c1nc2[nH]c3ccc(F)cc3n2c1Br.
What is the InChIKey of 1-bromo-7-fluoro-4H-imidazo[1,2-a]benzimidazole-2-carboxylic acid?
The InChIKey is SVGCVRWRODLQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFN3O2/c11-8-7(9(16)17)14-10-13-5-2-1-4(12)3-6(5)15(8)10/h1-3H,(H,13,14)(H,16,17).
What are the key properties of 1-bromo-7-fluoro-4H-imidazo[1,2-a]benzimidazole-2-carboxylic acid?
1-bromo-7-fluoro-4H-imidazo[1,2-a]benzimidazole-2-carboxylic acid has a molecular weight of 298.07 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-fluoro-4H-imidazo[1,2-a]benzimidazole-2-carboxylic acid is sourced from PubChem (CID 84644450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).