2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid

C11H10F2N2O2 — CID 82146050

IUPAC2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid
SMILESCc1nc2cc(F)c(F)cc2n1C(C)C(=O)O
InChIInChI=1S/C11H10F2N2O2/c1-5(11(16)17)15-6(2)14-9-3-7(12)8(13)4-10(9)15/h3-5H,1-2H3,(H,16,17)
InChIKeyCKZODJPGWAYGNQ-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.27
Rot. Bonds2

About 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid

2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid (PubChem CID 82146050) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid
PubChem CID82146050
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid
SMILESCc1nc2cc(F)c(F)cc2n1C(C)C(=O)O
InChIInChI=1S/C11H10F2N2O2/c1-5(11(16)17)15-6(2)14-9-3-7(12)8(13)4-10(9)15/h3-5H,1-2H3,(H,16,17)
InChIKeyCKZODJPGWAYGNQ-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid?
The IUPAC name of 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid (CID 82146050) is 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid is Cc1nc2cc(F)c(F)cc2n1C(C)C(=O)O.
What is the InChIKey of 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid?
The InChIKey is CKZODJPGWAYGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-5(11(16)17)15-6(2)14-9-3-7(12)8(13)4-10(9)15/h3-5H,1-2H3,(H,16,17).
What are the key properties of 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid?
2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid has a molecular weight of 240.21 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 82146050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).