1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole

C24H19F3N2S — CID 163368823

IUPAC1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
SMILESCc1cccc(-n2cc(-c3ccccc3)nc2SCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H19F3N2S/c1-17-6-5-9-21(14-17)29-15-22(19-7-3-2-4-8-19)28-23(29)30-16-18-10-12-20(13-11-18)24(25,26)27/h2-15H,16H2,1H3
InChIKeyBRFQTZZSHXREEX-UHFFFAOYSA-N
MW424.49 g/mol
LogP7.16
Rot. Bonds5

About 1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole

1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole (PubChem CID 163368823) has the molecular formula C24H19F3N2S and a molecular weight of 424.49 g/mol. Its IUPAC name is 1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole.

Molecular Properties

Compound Name1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
PubChem CID163368823
Molecular FormulaC24H19F3N2S
Molecular Weight424.49 g/mol
Exact Mass424.12
IUPAC Name1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
SMILESCc1cccc(-n2cc(-c3ccccc3)nc2SCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H19F3N2S/c1-17-6-5-9-21(14-17)29-15-22(19-7-3-2-4-8-19)28-23(29)30-16-18-10-12-20(13-11-18)24(25,26)27/h2-15H,16H2,1H3
InChIKeyBRFQTZZSHXREEX-UHFFFAOYSA-N
XLogP7.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.49
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole?
The IUPAC name of 1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole (CID 163368823) is 1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole.
What is the SMILES notation for 1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole?
The canonical SMILES for 1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole is Cc1cccc(-n2cc(-c3ccccc3)nc2SCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole?
The InChIKey is BRFQTZZSHXREEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2S/c1-17-6-5-9-21(14-17)29-15-22(19-7-3-2-4-8-19)28-23(29)30-16-18-10-12-20(13-11-18)24(25,26)27/h2-15H,16H2,1H3.
What are the key properties of 1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole?
1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole has a molecular weight of 424.49 g/mol, XLogP of 7.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole is sourced from PubChem (CID 163368823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).