2-[2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid

C16H13FN2O2 — CID 82144659

IUPAC2-[2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1c(-c2ccccc2F)nc2ccccc21
InChIInChI=1S/C16H13FN2O2/c1-10(16(20)21)19-14-9-5-4-8-13(14)18-15(19)11-6-2-3-7-12(11)17/h2-10H,1H3,(H,20,21)
InChIKeyFBSKHPJBPVFNOV-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.49
Rot. Bonds3

About 2-[2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid

2-[2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid (PubChem CID 82144659) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid
PubChem CID82144659
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-[2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1c(-c2ccccc2F)nc2ccccc21
InChIInChI=1S/C16H13FN2O2/c1-10(16(20)21)19-14-9-5-4-8-13(14)18-15(19)11-6-2-3-7-12(11)17/h2-10H,1H3,(H,20,21)
InChIKeyFBSKHPJBPVFNOV-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylbenzimidazol-1-yl)propanoic acid
CID 5236849
2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82144822
3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136751548
2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid
CID 82024672
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
CID 82144571
methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate
CID 17002230
2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 75530812
2-[2-[(4-aminophenyl)methyl]benzimidazol-1-yl]propanoic acid
CID 82024733
(2R)-2-indolo[3,2-b]quinoxalin-6-ylpropanoic acid
CID 40540812
2-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid
CID 82144856
2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid
CID 82146050

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid (CID 82144659) is 2-[2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid is CC(C(=O)O)n1c(-c2ccccc2F)nc2ccccc21.
What is the InChIKey of 2-[2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid?
The InChIKey is FBSKHPJBPVFNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-10(16(20)21)19-14-9-5-4-8-13(14)18-15(19)11-6-2-3-7-12(11)17/h2-10H,1H3,(H,20,21).
What are the key properties of 2-[2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid?
2-[2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid has a molecular weight of 284.29 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid is sourced from PubChem (CID 82144659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).