4-(azetidin-1-yl)-1-[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole

C28H24F3N3 — CID 143695433

IUPAC4-(azetidin-1-yl)-1-[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole
SMILESC/C=C/c1cccc(-c2ccc(-n3cc(N4CCC4)nc3-c3ccccc3C(F)(F)F)cc2)c1
InChIInChI=1S/C28H24F3N3/c1-2-7-20-8-5-9-22(18-20)21-12-14-23(15-13-21)34-19-26(33-16-6-17-33)32-27(34)24-10-3-4-11-25(24)28(29,30)31/h2-5,7-15,18-19H,6,16-17H2,1H3/b7-2+
InChIKeyUUMRAHXDUYJXLZ-FARCUNLSSA-N
MW459.52 g/mol
LogP7.47
Rot. Bonds5

About 4-(azetidin-1-yl)-1-[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole

4-(azetidin-1-yl)-1-[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole (PubChem CID 143695433) has the molecular formula C28H24F3N3 and a molecular weight of 459.52 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-1-[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name4-(azetidin-1-yl)-1-[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole
PubChem CID143695433
Molecular FormulaC28H24F3N3
Molecular Weight459.52 g/mol
Exact Mass459.19
IUPAC Name4-(azetidin-1-yl)-1-[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole
SMILESC/C=C/c1cccc(-c2ccc(-n3cc(N4CCC4)nc3-c3ccccc3C(F)(F)F)cc2)c1
InChIInChI=1S/C28H24F3N3/c1-2-7-20-8-5-9-22(18-20)21-12-14-23(15-13-21)34-19-26(33-16-6-17-33)32-27(34)24-10-3-4-11-25(24)28(29,30)31/h2-5,7-15,18-19H,6,16-17H2,1H3/b7-2+
InChIKeyUUMRAHXDUYJXLZ-FARCUNLSSA-N
XLogP7.47
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.52
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole
CID 162556159
1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole
CID 59251628
3-[4-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]benzenesulfonamide
CID 59251379
5-[1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 162556163
2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251264
methyl-methylidene-[3-[4-[4-(4-methylthiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenyl]-oxo-λ6-sulfane
CID 163561281
2-[1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251460
5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol
CID 59251368
2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251219
4-(4-isocyanooxan-4-yl)-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole
CID 59240168
2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,4,5-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251462
2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251435

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-1-[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 4-(azetidin-1-yl)-1-[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole (CID 143695433) is 4-(azetidin-1-yl)-1-[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 4-(azetidin-1-yl)-1-[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 4-(azetidin-1-yl)-1-[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole is C/C=C/c1cccc(-c2ccc(-n3cc(N4CCC4)nc3-c3ccccc3C(F)(F)F)cc2)c1.
What is the InChIKey of 4-(azetidin-1-yl)-1-[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole?
The InChIKey is UUMRAHXDUYJXLZ-FARCUNLSSA-N. The full InChI is InChI=1S/C28H24F3N3/c1-2-7-20-8-5-9-22(18-20)21-12-14-23(15-13-21)34-19-26(33-16-6-17-33)32-27(34)24-10-3-4-11-25(24)28(29,30)31/h2-5,7-15,18-19H,6,16-17H2,1H3/b7-2+.
What are the key properties of 4-(azetidin-1-yl)-1-[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole?
4-(azetidin-1-yl)-1-[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole has a molecular weight of 459.52 g/mol, XLogP of 7.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-1-[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 143695433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).