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

C16H13F3N2O — CID 91039466

IUPAC2-[2-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole
SMILESFC(F)(F)c1ccc(CCc2ncc[nH]2)c(-c2ccco2)c1
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)12-5-3-11(4-6-15-20-7-8-21-15)13(10-12)14-2-1-9-22-14/h1-3,5,7-10H,4,6H2,(H,20,21)
InChIKeyPZUFNZBMEWZJGL-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.47
Rot. Bonds4

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

2-[2-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole (PubChem CID 91039466) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-[2-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole
PubChem CID91039466
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name2-[2-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole
SMILESFC(F)(F)c1ccc(CCc2ncc[nH]2)c(-c2ccco2)c1
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)12-5-3-11(4-6-15-20-7-8-21-15)13(10-12)14-2-1-9-22-14/h1-3,5,7-10H,4,6H2,(H,20,21)
InChIKeyPZUFNZBMEWZJGL-UHFFFAOYSA-N
XLogP4.47
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole?
The IUPAC name of 2-[2-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole (CID 91039466) is 2-[2-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole is FC(F)(F)c1ccc(CCc2ncc[nH]2)c(-c2ccco2)c1.
What is the InChIKey of 2-[2-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole?
The InChIKey is PZUFNZBMEWZJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c17-16(18,19)12-5-3-11(4-6-15-20-7-8-21-15)13(10-12)14-2-1-9-22-14/h1-3,5,7-10H,4,6H2,(H,20,21).
What are the key properties of 2-[2-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole?
2-[2-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole has a molecular weight of 306.29 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole is sourced from PubChem (CID 91039466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).