2-[7-[3-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole

C18H13F3N2O — CID 57447547

IUPAC2-[7-[3-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1cccc(-c2cccc3coc(C4=NCCN4)c23)c1
InChIInChI=1S/C18H13F3N2O/c19-18(20,21)13-5-1-3-11(9-13)14-6-2-4-12-10-24-16(15(12)14)17-22-7-8-23-17/h1-6,9-10H,7-8H2,(H,22,23)
InChIKeyIAOKSORTAAUUED-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.47
Rot. Bonds2

About 2-[7-[3-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole

2-[7-[3-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole (PubChem CID 57447547) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-[7-[3-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[7-[3-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole
PubChem CID57447547
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name2-[7-[3-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1cccc(-c2cccc3coc(C4=NCCN4)c23)c1
InChIInChI=1S/C18H13F3N2O/c19-18(20,21)13-5-1-3-11(9-13)14-6-2-4-12-10-24-16(15(12)14)17-22-7-8-23-17/h1-6,9-10H,7-8H2,(H,22,23)
InChIKeyIAOKSORTAAUUED-UHFFFAOYSA-N
XLogP4.47
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[3-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[7-[3-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole (CID 57447547) is 2-[7-[3-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[7-[3-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[7-[3-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole is FC(F)(F)c1cccc(-c2cccc3coc(C4=NCCN4)c23)c1.
What is the InChIKey of 2-[7-[3-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is IAOKSORTAAUUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c19-18(20,21)13-5-1-3-11(9-13)14-6-2-4-12-10-24-16(15(12)14)17-22-7-8-23-17/h1-6,9-10H,7-8H2,(H,22,23).
What are the key properties of 2-[7-[3-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole?
2-[7-[3-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 330.31 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[3-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 57447547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).