2,4-dibromo-1H-benzimidazole-5-carboxylic acid

C8H4Br2N2O2 — CID 131190484

IUPAC2,4-dibromo-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(Br)nc2c1Br
InChIInChI=1S/C8H4Br2N2O2/c9-5-3(7(13)14)1-2-4-6(5)12-8(10)11-4/h1-2H,(H,11,12)(H,13,14)
InChIKeyCOLOHMFHKKOSNU-UHFFFAOYSA-N
MW319.94 g/mol
LogP2.79
Rot. Bonds1

About 2,4-dibromo-1H-benzimidazole-5-carboxylic acid

2,4-dibromo-1H-benzimidazole-5-carboxylic acid (PubChem CID 131190484) has the molecular formula C8H4Br2N2O2 and a molecular weight of 319.94 g/mol. Its IUPAC name is 2,4-dibromo-1H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dibromo-1H-benzimidazole-5-carboxylic acid
PubChem CID131190484
Molecular FormulaC8H4Br2N2O2
Molecular Weight319.94 g/mol
Exact Mass317.86
IUPAC Name2,4-dibromo-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(Br)nc2c1Br
InChIInChI=1S/C8H4Br2N2O2/c9-5-3(7(13)14)1-2-4-6(5)12-8(10)11-4/h1-2H,(H,11,12)(H,13,14)
InChIKeyCOLOHMFHKKOSNU-UHFFFAOYSA-N
XLogP2.79
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.94
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-methyl-1H-benzimidazole-5-carboxylic acid
CID 130051813
2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride
CID 131092660
2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid
CID 131285842
methyl 4-bromo-2-fluoro-1H-benzimidazole-5-carboxylate
CID 131389404
2-(hydroxymethyl)-1H-benzimidazole-4-carboxylic acid
CID 19759729
2,5-dibromo-1H-benzimidazole-4-sulfonyl chloride
CID 131585542
2-(4-carboxy-1H-benzimidazol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 67915177
methyl 2-(4-bromo-2-chloro-1H-benzimidazol-5-yl)acetate
CID 131400389
5-bromo-4-fluoro-1H-benzimidazole-2-carboxylic acid
CID 118391328
2-bromo-4-(chloromethyl)-1H-benzimidazole
CID 130968724
2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid
CID 107519628
4-bromo-2,1,3-benzothiadiazole-7-carboxylic acid
CID 59409543

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2,4-dibromo-1H-benzimidazole-5-carboxylic acid (CID 131190484) is 2,4-dibromo-1H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2,4-dibromo-1H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2,4-dibromo-1H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2[nH]c(Br)nc2c1Br.
What is the InChIKey of 2,4-dibromo-1H-benzimidazole-5-carboxylic acid?
The InChIKey is COLOHMFHKKOSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N2O2/c9-5-3(7(13)14)1-2-4-6(5)12-8(10)11-4/h1-2H,(H,11,12)(H,13,14).
What are the key properties of 2,4-dibromo-1H-benzimidazole-5-carboxylic acid?
2,4-dibromo-1H-benzimidazole-5-carboxylic acid has a molecular weight of 319.94 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 131190484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).