6-bromo-1H-benzimidazole-2-carboxylic acid

C8H5BrN2O2 — CID 23189704

IUPAC6-bromo-1H-benzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C8H5BrN2O2/c9-4-1-2-5-6(3-4)11-7(10-5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeyULTDLMITPWHISY-UHFFFAOYSA-N
MW241.04 g/mol
LogP2.02
Rot. Bonds1

About 6-bromo-1H-benzimidazole-2-carboxylic acid

6-bromo-1H-benzimidazole-2-carboxylic acid (PubChem CID 23189704) has the molecular formula C8H5BrN2O2 and a molecular weight of 241.04 g/mol. Its IUPAC name is 6-bromo-1H-benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-1H-benzimidazole-2-carboxylic acid
PubChem CID23189704
Molecular FormulaC8H5BrN2O2
Molecular Weight241.04 g/mol
Exact Mass239.95
IUPAC Name6-bromo-1H-benzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C8H5BrN2O2/c9-4-1-2-5-6(3-4)11-7(10-5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeyULTDLMITPWHISY-UHFFFAOYSA-N
XLogP2.02
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-benzimidazole-2-carboxylic acid?
The IUPAC name of 6-bromo-1H-benzimidazole-2-carboxylic acid (CID 23189704) is 6-bromo-1H-benzimidazole-2-carboxylic acid.
What is the SMILES notation for 6-bromo-1H-benzimidazole-2-carboxylic acid?
The canonical SMILES for 6-bromo-1H-benzimidazole-2-carboxylic acid is O=C(O)c1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-1H-benzimidazole-2-carboxylic acid?
The InChIKey is ULTDLMITPWHISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2/c9-4-1-2-5-6(3-4)11-7(10-5)8(12)13/h1-3H,(H,10,11)(H,12,13).
What are the key properties of 6-bromo-1H-benzimidazole-2-carboxylic acid?
6-bromo-1H-benzimidazole-2-carboxylic acid has a molecular weight of 241.04 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-benzimidazole-2-carboxylic acid is sourced from PubChem (CID 23189704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).