3-[2-(5-fluoro-2-pyridinyl)benzimidazol-1-yl]propanoic acid

C15H12FN3O2 — CID 104639133

IUPAC3-[2-(5-fluoro-2-pyridinyl)benzimidazol-1-yl]propanoic acid
SMILESO=C(O)CCn1c(-c2ccc(F)cn2)nc2ccccc21
InChIInChI=1S/C15H12FN3O2/c16-10-5-6-12(17-9-10)15-18-11-3-1-2-4-13(11)19(15)8-7-14(20)21/h1-6,9H,7-8H2,(H,20,21)
InChIKeyQYPJCBLXCIYVBK-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.71
Rot. Bonds4

About 3-[2-(5-fluoro-2-pyridinyl)benzimidazol-1-yl]propanoic acid

3-[2-(5-fluoro-2-pyridinyl)benzimidazol-1-yl]propanoic acid (PubChem CID 104639133) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 3-[2-(5-fluoro-2-pyridinyl)benzimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(5-fluoro-2-pyridinyl)benzimidazol-1-yl]propanoic acid
PubChem CID104639133
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name3-[2-(5-fluoro-2-pyridinyl)benzimidazol-1-yl]propanoic acid
SMILESO=C(O)CCn1c(-c2ccc(F)cn2)nc2ccccc21
InChIInChI=1S/C15H12FN3O2/c16-10-5-6-12(17-9-10)15-18-11-3-1-2-4-13(11)19(15)8-7-14(20)21/h1-6,9H,7-8H2,(H,20,21)
InChIKeyQYPJCBLXCIYVBK-UHFFFAOYSA-N
XLogP2.71
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-fluoro-2-pyridinyl)benzimidazol-1-yl]propanoic acid?
The IUPAC name of 3-[2-(5-fluoro-2-pyridinyl)benzimidazol-1-yl]propanoic acid (CID 104639133) is 3-[2-(5-fluoro-2-pyridinyl)benzimidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[2-(5-fluoro-2-pyridinyl)benzimidazol-1-yl]propanoic acid?
The canonical SMILES for 3-[2-(5-fluoro-2-pyridinyl)benzimidazol-1-yl]propanoic acid is O=C(O)CCn1c(-c2ccc(F)cn2)nc2ccccc21.
What is the InChIKey of 3-[2-(5-fluoro-2-pyridinyl)benzimidazol-1-yl]propanoic acid?
The InChIKey is QYPJCBLXCIYVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-10-5-6-12(17-9-10)15-18-11-3-1-2-4-13(11)19(15)8-7-14(20)21/h1-6,9H,7-8H2,(H,20,21).
What are the key properties of 3-[2-(5-fluoro-2-pyridinyl)benzimidazol-1-yl]propanoic acid?
3-[2-(5-fluoro-2-pyridinyl)benzimidazol-1-yl]propanoic acid has a molecular weight of 285.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-fluoro-2-pyridinyl)benzimidazol-1-yl]propanoic acid is sourced from PubChem (CID 104639133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).