5-(4-methoxyphenyl)-1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazole

C19H17F3N2OS — CID 18569212

IUPAC5-(4-methoxyphenyl)-1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
SMILESCOc1ccc(-c2cnc(SCc3cccc(C(F)(F)F)c3)n2C)cc1
InChIInChI=1S/C19H17F3N2OS/c1-24-17(14-6-8-16(25-2)9-7-14)11-23-18(24)26-12-13-4-3-5-15(10-13)19(20,21)22/h3-11H,12H2,1-2H3
InChIKeyZCSCDRGXFWJIKL-UHFFFAOYSA-N
MW378.42 g/mol
LogP5.41
Rot. Bonds5

About 5-(4-methoxyphenyl)-1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazole

5-(4-methoxyphenyl)-1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazole (PubChem CID 18569212) has the molecular formula C19H17F3N2OS and a molecular weight of 378.42 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
PubChem CID18569212
Molecular FormulaC19H17F3N2OS
Molecular Weight378.42 g/mol
Exact Mass378.10
IUPAC Name5-(4-methoxyphenyl)-1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
SMILESCOc1ccc(-c2cnc(SCc3cccc(C(F)(F)F)c3)n2C)cc1
InChIInChI=1S/C19H17F3N2OS/c1-24-17(14-6-8-16(25-2)9-7-14)11-23-18(24)26-12-13-4-3-5-15(10-13)19(20,21)22/h3-11H,12H2,1-2H3
InChIKeyZCSCDRGXFWJIKL-UHFFFAOYSA-N
XLogP5.41
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.42
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Related Compounds

5-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 1132944
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1H-imidazole
CID 6539900
1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole
CID 45103811
1-[(4-methoxyphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539903
1-Benzyl-4-(4-methoxyphenyl)-1h-imidazole
CID 6539910
4-(4-methoxyphenyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-imidazole
CID 6539911
2-(4-Difluoromethoxy-phenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
CID 1387702
7-(4-Methoxy-phenyl)-5-p-tolyl-2,3-dihydro-imidazo[2,1-b]thiazol-7-ium
CID 12005570
6-(4-Methoxyphenyl)imidazo[2,1-b]thiazole
CID 369507
2-(4-Methoxyphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 848469
1h-Imidazole,2-(3-fluoro-4-methoxyphenyl)-1-[4-(methylsulfonyl)phenyl]-4-(trifluoromethyl)-
CID 10136509
1-(4-Methanesulfonyl-phenyl)-2-(4-methoxy-3,5-dimethyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 10598409

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazole?
The IUPAC name of 5-(4-methoxyphenyl)-1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazole (CID 18569212) is 5-(4-methoxyphenyl)-1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazole?
The canonical SMILES for 5-(4-methoxyphenyl)-1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazole is COc1ccc(-c2cnc(SCc3cccc(C(F)(F)F)c3)n2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazole?
The InChIKey is ZCSCDRGXFWJIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2OS/c1-24-17(14-6-8-16(25-2)9-7-14)11-23-18(24)26-12-13-4-3-5-15(10-13)19(20,21)22/h3-11H,12H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazole?
5-(4-methoxyphenyl)-1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazole has a molecular weight of 378.42 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazole is sourced from PubChem (CID 18569212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).