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

C23H19F3N2S — CID 68568456

IUPAC4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1ccc(CSC2=NC(c3ccccc3)C(c3ccccc3)N2)cc1
InChIInChI=1S/C23H19F3N2S/c24-23(25,26)19-13-11-16(12-14-19)15-29-22-27-20(17-7-3-1-4-8-17)21(28-22)18-9-5-2-6-10-18/h1-14,20-21H,15H2,(H,27,28)
InChIKeyWECMXYDJXYXKJM-UHFFFAOYSA-N
MW412.48 g/mol
LogP6.38
Rot. Bonds4

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

4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole (PubChem CID 68568456) has the molecular formula C23H19F3N2S and a molecular weight of 412.48 g/mol. Its IUPAC name is 4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
PubChem CID68568456
Molecular FormulaC23H19F3N2S
Molecular Weight412.48 g/mol
Exact Mass412.12
IUPAC Name4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1ccc(CSC2=NC(c3ccccc3)C(c3ccccc3)N2)cc1
InChIInChI=1S/C23H19F3N2S/c24-23(25,26)19-13-11-16(12-14-19)15-29-22-27-20(17-7-3-1-4-8-17)21(28-22)18-9-5-2-6-10-18/h1-14,20-21H,15H2,(H,27,28)
InChIKeyWECMXYDJXYXKJM-UHFFFAOYSA-N
XLogP6.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.48
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole (CID 68568456) is 4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole is FC(F)(F)c1ccc(CSC2=NC(c3ccccc3)C(c3ccccc3)N2)cc1.
What is the InChIKey of 4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole?
The InChIKey is WECMXYDJXYXKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2S/c24-23(25,26)19-13-11-16(12-14-19)15-29-22-27-20(17-7-3-1-4-8-17)21(28-22)18-9-5-2-6-10-18/h1-14,20-21H,15H2,(H,27,28).
What are the key properties of 4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole?
4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole has a molecular weight of 412.48 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 68568456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).