4-bromo-3-imidazol-1-ylbenzoic acid

C10H7BrN2O2 — CID 84711748

IUPAC4-bromo-3-imidazol-1-ylbenzoic acid
SMILESO=C(O)c1ccc(Br)c(-n2ccnc2)c1
InChIInChI=1S/C10H7BrN2O2/c11-8-2-1-7(10(14)15)5-9(8)13-4-3-12-6-13/h1-6H,(H,14,15)
InChIKeyXFBMKIGGOXMXPD-UHFFFAOYSA-N
MW267.08 g/mol
LogP2.33
Rot. Bonds2

About 4-bromo-3-imidazol-1-ylbenzoic acid

4-bromo-3-imidazol-1-ylbenzoic acid (PubChem CID 84711748) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is 4-bromo-3-imidazol-1-ylbenzoic acid.

Molecular Properties

Compound Name4-bromo-3-imidazol-1-ylbenzoic acid
PubChem CID84711748
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name4-bromo-3-imidazol-1-ylbenzoic acid
SMILESO=C(O)c1ccc(Br)c(-n2ccnc2)c1
InChIInChI=1S/C10H7BrN2O2/c11-8-2-1-7(10(14)15)5-9(8)13-4-3-12-6-13/h1-6H,(H,14,15)
InChIKeyXFBMKIGGOXMXPD-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-pyrrol-1-ylbenzoic acid
CID 107812762
3-ethyl-4-imidazol-1-ylbenzoic acid
CID 84681695
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3-(7-bromo-4-imidazol-1-yl-8-methoxyquinolin-2-yl)benzoic acid
CID 162750917
2-bromo-5-carboxyphenolate
CID 54741926
4-bromo-3-imidazol-1-ylpyridine
CID 84688960
2-(3-fluoro-4-imidazol-1-ylphenyl)-2-oxoacetic acid
CID 117339835
6-imidazol-1-yl-7,8-dihydronaphthalene-2-carboxylic acid
CID 3021570
3,5-difluoro-4-imidazol-1-ylbenzoic acid
CID 63078087
4-bromo-3-(1,2,4-triazol-4-yl)benzamide
CID 56737242
4-bromo-3-(1,2,4-triazol-4-yl)benzoyl chloride
CID 56737243
3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide
CID 82799187

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-imidazol-1-ylbenzoic acid?
The IUPAC name of 4-bromo-3-imidazol-1-ylbenzoic acid (CID 84711748) is 4-bromo-3-imidazol-1-ylbenzoic acid.
What is the SMILES notation for 4-bromo-3-imidazol-1-ylbenzoic acid?
The canonical SMILES for 4-bromo-3-imidazol-1-ylbenzoic acid is O=C(O)c1ccc(Br)c(-n2ccnc2)c1.
What is the InChIKey of 4-bromo-3-imidazol-1-ylbenzoic acid?
The InChIKey is XFBMKIGGOXMXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-8-2-1-7(10(14)15)5-9(8)13-4-3-12-6-13/h1-6H,(H,14,15).
What are the key properties of 4-bromo-3-imidazol-1-ylbenzoic acid?
4-bromo-3-imidazol-1-ylbenzoic acid has a molecular weight of 267.08 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-imidazol-1-ylbenzoic acid is sourced from PubChem (CID 84711748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).