(4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole

C23H19F3N2 — CID 11188163

IUPAC(4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1ccc(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1
InChIInChI=1S/C23H19F3N2/c24-23(25,26)19-13-11-16(12-14-19)15-20-27-21(17-7-3-1-4-8-17)22(28-20)18-9-5-2-6-10-18/h1-14,21-22H,15H2,(H,27,28)/t21-,22+
InChIKeyBAGOINMLYOUEJC-SZPZYZBQSA-N
MW380.41 g/mol
LogP5.73
Rot. Bonds4

About (4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole

(4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole (PubChem CID 11188163) has the molecular formula C23H19F3N2 and a molecular weight of 380.41 g/mol. Its IUPAC name is (4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
PubChem CID11188163
Molecular FormulaC23H19F3N2
Molecular Weight380.41 g/mol
Exact Mass380.15
IUPAC Name(4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1ccc(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1
InChIInChI=1S/C23H19F3N2/c24-23(25,26)19-13-11-16(12-14-19)15-20-27-21(17-7-3-1-4-8-17)22(28-20)18-9-5-2-6-10-18/h1-14,21-22H,15H2,(H,27,28)/t21-,22+
InChIKeyBAGOINMLYOUEJC-SZPZYZBQSA-N
XLogP5.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole (CID 11188163) is (4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole is FC(F)(F)c1ccc(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1.
What is the InChIKey of (4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is BAGOINMLYOUEJC-SZPZYZBQSA-N. The full InChI is InChI=1S/C23H19F3N2/c24-23(25,26)19-13-11-16(12-14-19)15-20-27-21(17-7-3-1-4-8-17)22(28-20)18-9-5-2-6-10-18/h1-14,21-22H,15H2,(H,27,28)/t21-,22+.
What are the key properties of (4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
(4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 380.41 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11188163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).