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

C14H11ClN2O3 — CID 106688342

IUPAC3-[2-(5-chlorofuran-2-yl)benzimidazol-1-yl]propanoic acid
SMILESO=C(O)CCn1c(-c2ccc(Cl)o2)nc2ccccc21
InChIInChI=1S/C14H11ClN2O3/c15-12-6-5-11(20-12)14-16-9-3-1-2-4-10(9)17(14)8-7-13(18)19/h1-6H,7-8H2,(H,18,19)
InChIKeyALGKIKPWRYFBON-UHFFFAOYSA-N
MW290.71 g/mol
LogP3.42
Rot. Bonds4

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

3-[2-(5-chlorofuran-2-yl)benzimidazol-1-yl]propanoic acid (PubChem CID 106688342) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 3-[2-(5-chlorofuran-2-yl)benzimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(5-chlorofuran-2-yl)benzimidazol-1-yl]propanoic acid
PubChem CID106688342
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name3-[2-(5-chlorofuran-2-yl)benzimidazol-1-yl]propanoic acid
SMILESO=C(O)CCn1c(-c2ccc(Cl)o2)nc2ccccc21
InChIInChI=1S/C14H11ClN2O3/c15-12-6-5-11(20-12)14-16-9-3-1-2-4-10(9)17(14)8-7-13(18)19/h1-6H,7-8H2,(H,18,19)
InChIKeyALGKIKPWRYFBON-UHFFFAOYSA-N
XLogP3.42
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chlorofuran-2-yl)benzimidazol-1-yl]propanoic acid?
The IUPAC name of 3-[2-(5-chlorofuran-2-yl)benzimidazol-1-yl]propanoic acid (CID 106688342) is 3-[2-(5-chlorofuran-2-yl)benzimidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[2-(5-chlorofuran-2-yl)benzimidazol-1-yl]propanoic acid?
The canonical SMILES for 3-[2-(5-chlorofuran-2-yl)benzimidazol-1-yl]propanoic acid is O=C(O)CCn1c(-c2ccc(Cl)o2)nc2ccccc21.
What is the InChIKey of 3-[2-(5-chlorofuran-2-yl)benzimidazol-1-yl]propanoic acid?
The InChIKey is ALGKIKPWRYFBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-12-6-5-11(20-12)14-16-9-3-1-2-4-10(9)17(14)8-7-13(18)19/h1-6H,7-8H2,(H,18,19).
What are the key properties of 3-[2-(5-chlorofuran-2-yl)benzimidazol-1-yl]propanoic acid?
3-[2-(5-chlorofuran-2-yl)benzimidazol-1-yl]propanoic acid has a molecular weight of 290.71 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chlorofuran-2-yl)benzimidazol-1-yl]propanoic acid is sourced from PubChem (CID 106688342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).