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

C23H19F3N2S — CID 59655404

IUPAC(4S,5R)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1ccc(CSC2=N[C@@H](c3ccccc3)[C@@H](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)/t20-,21+
InChIKeyWECMXYDJXYXKJM-OYRHEFFESA-N
MW412.48 g/mol
LogP6.38
Rot. Bonds4

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

(4S,5R)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole (PubChem CID 59655404) has the molecular formula C23H19F3N2S and a molecular weight of 412.48 g/mol. Its IUPAC name is (4S,5R)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
PubChem CID59655404
Molecular FormulaC23H19F3N2S
Molecular Weight412.48 g/mol
Exact Mass412.12
IUPAC Name(4S,5R)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1ccc(CSC2=N[C@@H](c3ccccc3)[C@@H](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)/t20-,21+
InChIKeyWECMXYDJXYXKJM-OYRHEFFESA-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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Related Compounds

(4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
CID 11188163
(4R,5S)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 45273183
(4R,5S)-2-[2-[[(4R,5S)-4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl]ethylsulfanyl]-4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole;hydrobromide
CID 44537292
2-(cyclohexylmethylsulfanyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 171348321
2-[2-[[4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl]ethylsulfanyl]-4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole;hydrobromide
CID 45481441
(4R,5S)-2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11257996
(4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole
CID 11396286
4,5-Dihydro-N-(2,2,2-trifluoro-1-phenylethyl)-2-thiazolamine
CID 54168734
2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 56659110
N-[2-(3,5-dimethylphenyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 59223257
N-[1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 59223261
N-[1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 59223267

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole (CID 59655404) is (4S,5R)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole is FC(F)(F)c1ccc(CSC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1.
What is the InChIKey of (4S,5R)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole?
The InChIKey is WECMXYDJXYXKJM-OYRHEFFESA-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)/t20-,21+.
What are the key properties of (4S,5R)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole?
(4S,5R)-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 (4S,5R)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 59655404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).