5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methylsulfanyl-5-phenyl-1,4-dihydroimidazole

C20H18F6N2OS — CID 22960734

IUPAC5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methylsulfanyl-5-phenyl-1,4-dihydroimidazole
SMILESCSC1=NCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N1
InChIInChI=1S/C20H18F6N2OS/c1-30-17-27-11-18(28-17,14-5-3-2-4-6-14)12-29-10-13-7-15(19(21,22)23)9-16(8-13)20(24,25)26/h2-9H,10-12H2,1H3,(H,27,28)
InChIKeyALJNTMRQRHQWAX-UHFFFAOYSA-N
MW448.43 g/mol
LogP5.46
Rot. Bonds5

About 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methylsulfanyl-5-phenyl-1,4-dihydroimidazole

5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methylsulfanyl-5-phenyl-1,4-dihydroimidazole (PubChem CID 22960734) has the molecular formula C20H18F6N2OS and a molecular weight of 448.43 g/mol. Its IUPAC name is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methylsulfanyl-5-phenyl-1,4-dihydroimidazole.

Molecular Properties

Compound Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methylsulfanyl-5-phenyl-1,4-dihydroimidazole
PubChem CID22960734
Molecular FormulaC20H18F6N2OS
Molecular Weight448.43 g/mol
Exact Mass448.10
IUPAC Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methylsulfanyl-5-phenyl-1,4-dihydroimidazole
SMILESCSC1=NCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N1
InChIInChI=1S/C20H18F6N2OS/c1-30-17-27-11-18(28-17,14-5-3-2-4-6-14)12-29-10-13-7-15(19(21,22)23)9-16(8-13)20(24,25)26/h2-9H,10-12H2,1H3,(H,27,28)
InChIKeyALJNTMRQRHQWAX-UHFFFAOYSA-N
XLogP5.46
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.43
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]acetamide
CID 10116279
(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2,3-dimethyl-5-phenyl-4H-imidazole
CID 10138379
5-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-5-phenyl-1,4-dihydroimidazole
CID 10158825
5-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-5-(4-fluorophenyl)-1,4-dihydroimidazole
CID 10159084
(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole
CID 10204951
5-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-1,4-dihydroimidazol-2-amine
CID 10223691
(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dimethyl-5-phenyl-4H-imidazole
CID 10224601
(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-4-phenylimidazolidine-2-thione
CID 10225721
[(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1,4-dihydroimidazol-2-yl]cyanamide
CID 10226225
(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-amine
CID 10274349
5-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-2-(trifluoromethyl)-1,4-dihydroimidazole
CID 22960747
(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dimethyl-5-phenyl-1,4-dihydroimidazol-3-ium
CID 59058153

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methylsulfanyl-5-phenyl-1,4-dihydroimidazole?
The IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methylsulfanyl-5-phenyl-1,4-dihydroimidazole (CID 22960734) is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methylsulfanyl-5-phenyl-1,4-dihydroimidazole.
What is the SMILES notation for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methylsulfanyl-5-phenyl-1,4-dihydroimidazole?
The canonical SMILES for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methylsulfanyl-5-phenyl-1,4-dihydroimidazole is CSC1=NCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N1.
What is the InChIKey of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methylsulfanyl-5-phenyl-1,4-dihydroimidazole?
The InChIKey is ALJNTMRQRHQWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N2OS/c1-30-17-27-11-18(28-17,14-5-3-2-4-6-14)12-29-10-13-7-15(19(21,22)23)9-16(8-13)20(24,25)26/h2-9H,10-12H2,1H3,(H,27,28).
What are the key properties of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methylsulfanyl-5-phenyl-1,4-dihydroimidazole?
5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methylsulfanyl-5-phenyl-1,4-dihydroimidazole has a molecular weight of 448.43 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methylsulfanyl-5-phenyl-1,4-dihydroimidazole is sourced from PubChem (CID 22960734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).