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

C23H19F3N2S — CID 70887747

IUPAC(4S)-4,5-diphenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1ccccc1CSC1=N[C@@H](c2ccccc2)C(c2ccccc2)N1
InChIInChI=1S/C23H19F3N2S/c24-23(25,26)19-14-8-7-13-18(19)15-29-22-27-20(16-9-3-1-4-10-16)21(28-22)17-11-5-2-6-12-17/h1-14,20-21H,15H2,(H,27,28)/t20-,21?/m0/s1
InChIKeyJCNCOSDBFTVQKM-BGERDNNASA-N
MW412.48 g/mol
LogP6.38
Rot. Bonds4

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

(4S)-4,5-diphenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole (PubChem CID 70887747) has the molecular formula C23H19F3N2S and a molecular weight of 412.48 g/mol. Its IUPAC name is (4S)-4,5-diphenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S)-4,5-diphenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
PubChem CID70887747
Molecular FormulaC23H19F3N2S
Molecular Weight412.48 g/mol
Exact Mass412.12
IUPAC Name(4S)-4,5-diphenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1ccccc1CSC1=N[C@@H](c2ccccc2)C(c2ccccc2)N1
InChIInChI=1S/C23H19F3N2S/c24-23(25,26)19-14-8-7-13-18(19)15-29-22-27-20(16-9-3-1-4-10-16)21(28-22)17-11-5-2-6-12-17/h1-14,20-21H,15H2,(H,27,28)/t20-,21?/m0/s1
InChIKeyJCNCOSDBFTVQKM-BGERDNNASA-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 (4S)-4,5-diphenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S)-4,5-diphenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole (CID 70887747) is (4S)-4,5-diphenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S)-4,5-diphenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S)-4,5-diphenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole is FC(F)(F)c1ccccc1CSC1=N[C@@H](c2ccccc2)C(c2ccccc2)N1.
What is the InChIKey of (4S)-4,5-diphenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole?
The InChIKey is JCNCOSDBFTVQKM-BGERDNNASA-N. The full InChI is InChI=1S/C23H19F3N2S/c24-23(25,26)19-14-8-7-13-18(19)15-29-22-27-20(16-9-3-1-4-10-16)21(28-22)17-11-5-2-6-12-17/h1-14,20-21H,15H2,(H,27,28)/t20-,21?/m0/s1.
What are the key properties of (4S)-4,5-diphenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole?
(4S)-4,5-diphenyl-2-[[2-(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)-4,5-diphenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 70887747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).