(2R)-2-(5,6-difluorobenzimidazol-1-yl)propanoic acid

C10H8F2N2O2 — CID 93312444

IUPAC(2R)-2-(5,6-difluorobenzimidazol-1-yl)propanoic acid
SMILESC[C@H](C(=O)O)n1cnc2cc(F)c(F)cc21
InChIInChI=1S/C10H8F2N2O2/c1-5(10(15)16)14-4-13-8-2-6(11)7(12)3-9(8)14/h2-5H,1H3,(H,15,16)/t5-/m1/s1
InChIKeyXLIYQEYFKOHBMR-RXMQYKEDSA-N
MW226.18 g/mol
LogP1.96
Rot. Bonds2

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

(2R)-2-(5,6-difluorobenzimidazol-1-yl)propanoic acid (PubChem CID 93312444) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is (2R)-2-(5,6-difluorobenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(5,6-difluorobenzimidazol-1-yl)propanoic acid
PubChem CID93312444
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Name(2R)-2-(5,6-difluorobenzimidazol-1-yl)propanoic acid
SMILESC[C@H](C(=O)O)n1cnc2cc(F)c(F)cc21
InChIInChI=1S/C10H8F2N2O2/c1-5(10(15)16)14-4-13-8-2-6(11)7(12)3-9(8)14/h2-5H,1H3,(H,15,16)/t5-/m1/s1
InChIKeyXLIYQEYFKOHBMR-RXMQYKEDSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,6-difluorobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
CID 116620839
2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid
CID 113373538
5,6-difluoro-1-(1-phenylethyl)benzimidazole
CID 116620795
2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid
CID 82146050
(6-fluoro-1-propan-2-ylbenzimidazol-5-yl)boronic acid
CID 75485922
N-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine
CID 62564290
(2S)-2-(4,5-dimethylimidazol-1-yl)propanoic acid
CID 82413382
3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide
CID 63577776
(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid
CID 771110
6-amino-1-propan-2-ylbenzimidazole-5-carboxylic acid
CID 84724481
2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 49019919
(2S)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 52521668

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5,6-difluorobenzimidazol-1-yl)propanoic acid?
The IUPAC name of (2R)-2-(5,6-difluorobenzimidazol-1-yl)propanoic acid (CID 93312444) is (2R)-2-(5,6-difluorobenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(5,6-difluorobenzimidazol-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-(5,6-difluorobenzimidazol-1-yl)propanoic acid is C[C@H](C(=O)O)n1cnc2cc(F)c(F)cc21.
What is the InChIKey of (2R)-2-(5,6-difluorobenzimidazol-1-yl)propanoic acid?
The InChIKey is XLIYQEYFKOHBMR-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c1-5(10(15)16)14-4-13-8-2-6(11)7(12)3-9(8)14/h2-5H,1H3,(H,15,16)/t5-/m1/s1.
What are the key properties of (2R)-2-(5,6-difluorobenzimidazol-1-yl)propanoic acid?
(2R)-2-(5,6-difluorobenzimidazol-1-yl)propanoic acid has a molecular weight of 226.18 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5,6-difluorobenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 93312444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).