2-[2-[4-fluoro-2-(furan-2-yl)phenyl]ethyl]-1H-imidazole

C15H13FN2O — CID 91023043

IUPAC2-[2-[4-fluoro-2-(furan-2-yl)phenyl]ethyl]-1H-imidazole
SMILESFc1ccc(CCc2ncc[nH]2)c(-c2ccco2)c1
InChIInChI=1S/C15H13FN2O/c16-12-5-3-11(4-6-15-17-7-8-18-15)13(10-12)14-2-1-9-19-14/h1-3,5,7-10H,4,6H2,(H,17,18)
InChIKeyFPYLYYUXEUVEAD-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.59
Rot. Bonds4

About 2-[2-[4-fluoro-2-(furan-2-yl)phenyl]ethyl]-1H-imidazole

2-[2-[4-fluoro-2-(furan-2-yl)phenyl]ethyl]-1H-imidazole (PubChem CID 91023043) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-[2-[4-fluoro-2-(furan-2-yl)phenyl]ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-[4-fluoro-2-(furan-2-yl)phenyl]ethyl]-1H-imidazole
PubChem CID91023043
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-[2-[4-fluoro-2-(furan-2-yl)phenyl]ethyl]-1H-imidazole
SMILESFc1ccc(CCc2ncc[nH]2)c(-c2ccco2)c1
InChIInChI=1S/C15H13FN2O/c16-12-5-3-11(4-6-15-17-7-8-18-15)13(10-12)14-2-1-9-19-14/h1-3,5,7-10H,4,6H2,(H,17,18)
InChIKeyFPYLYYUXEUVEAD-UHFFFAOYSA-N
XLogP3.59
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-fluoro-2-(furan-2-yl)phenyl]ethyl]-1H-imidazole?
The IUPAC name of 2-[2-[4-fluoro-2-(furan-2-yl)phenyl]ethyl]-1H-imidazole (CID 91023043) is 2-[2-[4-fluoro-2-(furan-2-yl)phenyl]ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-[4-fluoro-2-(furan-2-yl)phenyl]ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-[4-fluoro-2-(furan-2-yl)phenyl]ethyl]-1H-imidazole is Fc1ccc(CCc2ncc[nH]2)c(-c2ccco2)c1.
What is the InChIKey of 2-[2-[4-fluoro-2-(furan-2-yl)phenyl]ethyl]-1H-imidazole?
The InChIKey is FPYLYYUXEUVEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-12-5-3-11(4-6-15-17-7-8-18-15)13(10-12)14-2-1-9-19-14/h1-3,5,7-10H,4,6H2,(H,17,18).
What are the key properties of 2-[2-[4-fluoro-2-(furan-2-yl)phenyl]ethyl]-1H-imidazole?
2-[2-[4-fluoro-2-(furan-2-yl)phenyl]ethyl]-1H-imidazole has a molecular weight of 256.28 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-fluoro-2-(furan-2-yl)phenyl]ethyl]-1H-imidazole is sourced from PubChem (CID 91023043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).