2-(benzimidazol-1-yl)-6-fluorobenzoic acid

C14H9FN2O2 — CID 79512434

IUPAC2-(benzimidazol-1-yl)-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1-n1cnc2ccccc21
InChIInChI=1S/C14H9FN2O2/c15-9-4-3-7-12(13(9)14(18)19)17-8-16-10-5-1-2-6-11(10)17/h1-8H,(H,18,19)
InChIKeyPMKLRIHKZJYOGW-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.86
Rot. Bonds2

About 2-(benzimidazol-1-yl)-6-fluorobenzoic acid

2-(benzimidazol-1-yl)-6-fluorobenzoic acid (PubChem CID 79512434) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-6-fluorobenzoic acid
PubChem CID79512434
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name2-(benzimidazol-1-yl)-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1-n1cnc2ccccc21
InChIInChI=1S/C14H9FN2O2/c15-9-4-3-7-12(13(9)14(18)19)17-8-16-10-5-1-2-6-11(10)17/h1-8H,(H,18,19)
InChIKeyPMKLRIHKZJYOGW-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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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-6-fluorobenzoic acid?
The IUPAC name of 2-(benzimidazol-1-yl)-6-fluorobenzoic acid (CID 79512434) is 2-(benzimidazol-1-yl)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(benzimidazol-1-yl)-6-fluorobenzoic acid?
The canonical SMILES for 2-(benzimidazol-1-yl)-6-fluorobenzoic acid is O=C(O)c1c(F)cccc1-n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-6-fluorobenzoic acid?
The InChIKey is PMKLRIHKZJYOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-9-4-3-7-12(13(9)14(18)19)17-8-16-10-5-1-2-6-11(10)17/h1-8H,(H,18,19).
What are the key properties of 2-(benzimidazol-1-yl)-6-fluorobenzoic acid?
2-(benzimidazol-1-yl)-6-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)-6-fluorobenzoic acid is sourced from PubChem (CID 79512434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).