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

C19H12F6N2O — CID 57447517

IUPAC2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1cc(-c2ccc3c(C4=NCCN4)occ3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H12F6N2O/c20-18(21,22)13-6-11(7-14(8-13)19(23,24)25)10-1-2-15-12(5-10)9-28-16(15)17-26-3-4-27-17/h1-2,5-9H,3-4H2,(H,26,27)
InChIKeyJGTBJSBUUPOPOK-UHFFFAOYSA-N
MW398.31 g/mol
LogP5.49
Rot. Bonds2

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

2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole (PubChem CID 57447517) has the molecular formula C19H12F6N2O and a molecular weight of 398.31 g/mol. Its IUPAC name is 2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole
PubChem CID57447517
Molecular FormulaC19H12F6N2O
Molecular Weight398.31 g/mol
Exact Mass398.09
IUPAC Name2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1cc(-c2ccc3c(C4=NCCN4)occ3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H12F6N2O/c20-18(21,22)13-6-11(7-14(8-13)19(23,24)25)10-1-2-15-12(5-10)9-28-16(15)17-26-3-4-27-17/h1-2,5-9H,3-4H2,(H,26,27)
InChIKeyJGTBJSBUUPOPOK-UHFFFAOYSA-N
XLogP5.49
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.31
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-phenyl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 57447514
2-[7-[3-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole
CID 57447547
2-[2-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole
CID 15887232
2-[7-(4-methylphenyl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 57447528
2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293746
2-naphthalen-2-yl-4,5-dihydro-1H-imidazole
CID 11769428
2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide
CID 158320426
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole
CID 71747659
2-[7-(3-nitrophenyl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole
CID 57447537
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene
CID 169294050
2-[3-(2-methoxyethoxy)-7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 57447579

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole (CID 57447517) is 2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole is FC(F)(F)c1cc(-c2ccc3c(C4=NCCN4)occ3c2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is JGTBJSBUUPOPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N2O/c20-18(21,22)13-6-11(7-14(8-13)19(23,24)25)10-1-2-15-12(5-10)9-28-16(15)17-26-3-4-27-17/h1-2,5-9H,3-4H2,(H,26,27).
What are the key properties of 2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole?
2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 398.31 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 57447517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).