2-(benzimidazol-1-yl)-5-fluorobenzoic acid

C14H9FN2O2 — CID 43313103

IUPAC2-(benzimidazol-1-yl)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1-n1cnc2ccccc21
InChIInChI=1S/C14H9FN2O2/c15-9-5-6-12(10(7-9)14(18)19)17-8-16-11-3-1-2-4-13(11)17/h1-8H,(H,18,19)
InChIKeyBLGOATYJSBAMIE-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.86
Rot. Bonds2

About 2-(benzimidazol-1-yl)-5-fluorobenzoic acid

2-(benzimidazol-1-yl)-5-fluorobenzoic acid (PubChem CID 43313103) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-5-fluorobenzoic acid
PubChem CID43313103
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name2-(benzimidazol-1-yl)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1-n1cnc2ccccc21
InChIInChI=1S/C14H9FN2O2/c15-9-5-6-12(10(7-9)14(18)19)17-8-16-11-3-1-2-4-13(11)17/h1-8H,(H,18,19)
InChIKeyBLGOATYJSBAMIE-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63082519
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3-(benzimidazol-1-yl)-2-methylbenzoic acid
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2-(benzimidazol-1-yl)-5-bromobenzamide
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1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid
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6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid
CID 141290745
2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluorobenzoic acid
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5-fluoro-2-pyrrol-1-ylbenzoic acid
CID 24700120
1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid
CID 141290744
1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine
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5-fluoro-2-[3-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid
CID 20565790

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-5-fluorobenzoic acid?
The IUPAC name of 2-(benzimidazol-1-yl)-5-fluorobenzoic acid (CID 43313103) is 2-(benzimidazol-1-yl)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(benzimidazol-1-yl)-5-fluorobenzoic acid?
The canonical SMILES for 2-(benzimidazol-1-yl)-5-fluorobenzoic acid is O=C(O)c1cc(F)ccc1-n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-5-fluorobenzoic acid?
The InChIKey is BLGOATYJSBAMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-9-5-6-12(10(7-9)14(18)19)17-8-16-11-3-1-2-4-13(11)17/h1-8H,(H,18,19).
What are the key properties of 2-(benzimidazol-1-yl)-5-fluorobenzoic acid?
2-(benzimidazol-1-yl)-5-fluorobenzoic acid has a molecular weight of 256.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-5-fluorobenzoic acid is sourced from PubChem (CID 43313103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).