2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid

C13H14F2N2O2 — CID 113373538

IUPAC2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid
SMILESCCCCC(C(=O)O)n1cnc2cc(F)c(F)cc21
InChIInChI=1S/C13H14F2N2O2/c1-2-3-4-11(13(18)19)17-7-16-10-5-8(14)9(15)6-12(10)17/h5-7,11H,2-4H2,1H3,(H,18,19)
InChIKeyCOGGBQLVTNSICT-UHFFFAOYSA-N
MW268.26 g/mol
LogP3.13
Rot. Bonds5

About 2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid

2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid (PubChem CID 113373538) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid.

Molecular Properties

Compound Name2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid
PubChem CID113373538
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid
SMILESCCCCC(C(=O)O)n1cnc2cc(F)c(F)cc21
InChIInChI=1S/C13H14F2N2O2/c1-2-3-4-11(13(18)19)17-7-16-10-5-8(14)9(15)6-12(10)17/h5-7,11H,2-4H2,1H3,(H,18,19)
InChIKeyCOGGBQLVTNSICT-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid?
The IUPAC name of 2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid (CID 113373538) is 2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid.
What is the SMILES notation for 2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid?
The canonical SMILES for 2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid is CCCCC(C(=O)O)n1cnc2cc(F)c(F)cc21.
What is the InChIKey of 2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid?
The InChIKey is COGGBQLVTNSICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-2-3-4-11(13(18)19)17-7-16-10-5-8(14)9(15)6-12(10)17/h5-7,11H,2-4H2,1H3,(H,18,19).
What are the key properties of 2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid?
2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid has a molecular weight of 268.26 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid is sourced from PubChem (CID 113373538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).