(4R,5S)-4,5-diphenyl-2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid

C26H25F3N2O2 — CID 11259553

IUPAC(4R,5S)-4,5-diphenyl-2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid
SMILESCC(Cc1ccccc1)C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H24N2.C2HF3O2/c1-18(17-19-11-5-2-6-12-19)24-25-22(20-13-7-3-8-14-20)23(26-24)21-15-9-4-10-16-21;3-2(4,5)1(6)7/h2-16,18,22-23H,17H2,1H3,(H,25,26);(H,6,7)/t18?,22-,23+;
InChIKeyOUDADFBMTKEOOY-FTJNISQOSA-N
MW454.49 g/mol
LogP5.98
Rot. Bonds5

About (4R,5S)-4,5-diphenyl-2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid

(4R,5S)-4,5-diphenyl-2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid (PubChem CID 11259553) has the molecular formula C26H25F3N2O2 and a molecular weight of 454.49 g/mol. Its IUPAC name is (4R,5S)-4,5-diphenyl-2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(4R,5S)-4,5-diphenyl-2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid
PubChem CID11259553
Molecular FormulaC26H25F3N2O2
Molecular Weight454.49 g/mol
Exact Mass454.19
IUPAC Name(4R,5S)-4,5-diphenyl-2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid
SMILESCC(Cc1ccccc1)C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H24N2.C2HF3O2/c1-18(17-19-11-5-2-6-12-19)24-25-22(20-13-7-3-8-14-20)23(26-24)21-15-9-4-10-16-21;3-2(4,5)1(6)7/h2-16,18,22-23H,17H2,1H3,(H,25,26);(H,6,7)/t18?,22-,23+;
InChIKeyOUDADFBMTKEOOY-FTJNISQOSA-N
XLogP5.98
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.49
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-diphenyl-2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid?
The IUPAC name of (4R,5S)-4,5-diphenyl-2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid (CID 11259553) is (4R,5S)-4,5-diphenyl-2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (4R,5S)-4,5-diphenyl-2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for (4R,5S)-4,5-diphenyl-2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid is CC(Cc1ccccc1)C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1.O=C(O)C(F)(F)F.
What is the InChIKey of (4R,5S)-4,5-diphenyl-2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid?
The InChIKey is OUDADFBMTKEOOY-FTJNISQOSA-N. The full InChI is InChI=1S/C24H24N2.C2HF3O2/c1-18(17-19-11-5-2-6-12-19)24-25-22(20-13-7-3-8-14-20)23(26-24)21-15-9-4-10-16-21;3-2(4,5)1(6)7/h2-16,18,22-23H,17H2,1H3,(H,25,26);(H,6,7)/t18?,22-,23+;.
What are the key properties of (4R,5S)-4,5-diphenyl-2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid?
(4R,5S)-4,5-diphenyl-2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid has a molecular weight of 454.49 g/mol, XLogP of 5.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-diphenyl-2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11259553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).