2-[5-fluoro-2-(furan-2-yl)phenyl]-1H-imidazole

C13H9FN2O — CID 91008726

IUPAC2-[5-fluoro-2-(furan-2-yl)phenyl]-1H-imidazole
SMILESFc1ccc(-c2ccco2)c(-c2ncc[nH]2)c1
InChIInChI=1S/C13H9FN2O/c14-9-3-4-10(12-2-1-7-17-12)11(8-9)13-15-5-6-16-13/h1-8H,(H,15,16)
InChIKeyOTGBJWLAKDZSDS-UHFFFAOYSA-N
MW228.23 g/mol
LogP3.48
Rot. Bonds2

About 2-[5-fluoro-2-(furan-2-yl)phenyl]-1H-imidazole

2-[5-fluoro-2-(furan-2-yl)phenyl]-1H-imidazole (PubChem CID 91008726) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 2-[5-fluoro-2-(furan-2-yl)phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[5-fluoro-2-(furan-2-yl)phenyl]-1H-imidazole
PubChem CID91008726
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name2-[5-fluoro-2-(furan-2-yl)phenyl]-1H-imidazole
SMILESFc1ccc(-c2ccco2)c(-c2ncc[nH]2)c1
InChIInChI=1S/C13H9FN2O/c14-9-3-4-10(12-2-1-7-17-12)11(8-9)13-15-5-6-16-13/h1-8H,(H,15,16)
InChIKeyOTGBJWLAKDZSDS-UHFFFAOYSA-N
XLogP3.48
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(furan-2-yl)phenyl]-1H-imidazole?
The IUPAC name of 2-[5-fluoro-2-(furan-2-yl)phenyl]-1H-imidazole (CID 91008726) is 2-[5-fluoro-2-(furan-2-yl)phenyl]-1H-imidazole.
What is the SMILES notation for 2-[5-fluoro-2-(furan-2-yl)phenyl]-1H-imidazole?
The canonical SMILES for 2-[5-fluoro-2-(furan-2-yl)phenyl]-1H-imidazole is Fc1ccc(-c2ccco2)c(-c2ncc[nH]2)c1.
What is the InChIKey of 2-[5-fluoro-2-(furan-2-yl)phenyl]-1H-imidazole?
The InChIKey is OTGBJWLAKDZSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-9-3-4-10(12-2-1-7-17-12)11(8-9)13-15-5-6-16-13/h1-8H,(H,15,16).
What are the key properties of 2-[5-fluoro-2-(furan-2-yl)phenyl]-1H-imidazole?
2-[5-fluoro-2-(furan-2-yl)phenyl]-1H-imidazole has a molecular weight of 228.23 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(furan-2-yl)phenyl]-1H-imidazole is sourced from PubChem (CID 91008726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).