3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid

C14H8BrFN2O2 — CID 82790695

IUPAC3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(-c3cc(Br)ccc3F)c2c1
InChIInChI=1S/C14H8BrFN2O2/c15-9-2-3-10(16)12(6-9)18-7-17-11-4-1-8(14(19)20)5-13(11)18/h1-7H,(H,19,20)
InChIKeyIPKAZBBZXXRXIO-UHFFFAOYSA-N
MW335.13 g/mol
LogP3.63
Rot. Bonds2

About 3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid

3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid (PubChem CID 82790695) has the molecular formula C14H8BrFN2O2 and a molecular weight of 335.13 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
PubChem CID82790695
Molecular FormulaC14H8BrFN2O2
Molecular Weight335.13 g/mol
Exact Mass333.98
IUPAC Name3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(-c3cc(Br)ccc3F)c2c1
InChIInChI=1S/C14H8BrFN2O2/c15-9-2-3-10(16)12(6-9)18-7-17-11-4-1-8(14(19)20)5-13(11)18/h1-7H,(H,19,20)
InChIKeyIPKAZBBZXXRXIO-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.13
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid (CID 82790695) is 3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2ncn(-c3cc(Br)ccc3F)c2c1.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid?
The InChIKey is IPKAZBBZXXRXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O2/c15-9-2-3-10(16)12(6-9)18-7-17-11-4-1-8(14(19)20)5-13(11)18/h1-7H,(H,19,20).
What are the key properties of 3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid?
3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid has a molecular weight of 335.13 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82790695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).