2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid

C27H27F3N2O2 — CID 68567115

IUPAC2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid
SMILESCC(C)(CC1=NC(c2ccccc2)C(c2ccccc2)N1)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H26N2.C2HF3O2/c1-25(2,21-16-10-5-11-17-21)18-22-26-23(19-12-6-3-7-13-19)24(27-22)20-14-8-4-9-15-20;3-2(4,5)1(6)7/h3-17,23-24H,18H2,1-2H3,(H,26,27);(H,6,7)
InChIKeyPYLNFNPGLYZGGI-UHFFFAOYSA-N
MW468.52 g/mol
LogP6.47
Rot. Bonds5

About 2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid

2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid (PubChem CID 68567115) has the molecular formula C27H27F3N2O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid
PubChem CID68567115
Molecular FormulaC27H27F3N2O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC Name2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid
SMILESCC(C)(CC1=NC(c2ccccc2)C(c2ccccc2)N1)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H26N2.C2HF3O2/c1-25(2,21-16-10-5-11-17-21)18-22-26-23(19-12-6-3-7-13-19)24(27-22)20-14-8-4-9-15-20;3-2(4,5)1(6)7/h3-17,23-24H,18H2,1-2H3,(H,26,27);(H,6,7)
InChIKeyPYLNFNPGLYZGGI-UHFFFAOYSA-N
XLogP6.47
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.52
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid (CID 68567115) is 2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid is CC(C)(CC1=NC(c2ccccc2)C(c2ccccc2)N1)c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid?
The InChIKey is PYLNFNPGLYZGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2.C2HF3O2/c1-25(2,21-16-10-5-11-17-21)18-22-26-23(19-12-6-3-7-13-19)24(27-22)20-14-8-4-9-15-20;3-2(4,5)1(6)7/h3-17,23-24H,18H2,1-2H3,(H,26,27);(H,6,7).
What are the key properties of 2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid?
2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid has a molecular weight of 468.52 g/mol, XLogP of 6.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68567115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).