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

C20H18F6N2O — CID 10158825

IUPAC5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-5-phenyl-1,4-dihydroimidazole
SMILESCC1=NCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N1
InChIInChI=1S/C20H18F6N2O/c1-13-27-11-18(28-13,15-5-3-2-4-6-15)12-29-10-14-7-16(19(21,22)23)9-17(8-14)20(24,25)26/h2-9H,10-12H2,1H3,(H,27,28)
InChIKeyCFQRGYHLFLBROB-UHFFFAOYSA-N
MW416.37 g/mol
LogP5.16
Rot. Bonds5

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

5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-5-phenyl-1,4-dihydroimidazole (PubChem CID 10158825) has the molecular formula C20H18F6N2O and a molecular weight of 416.37 g/mol. Its IUPAC name is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-5-phenyl-1,4-dihydroimidazole.

Molecular Properties

Compound Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-5-phenyl-1,4-dihydroimidazole
PubChem CID10158825
Molecular FormulaC20H18F6N2O
Molecular Weight416.37 g/mol
Exact Mass416.13
IUPAC Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-5-phenyl-1,4-dihydroimidazole
SMILESCC1=NCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N1
InChIInChI=1S/C20H18F6N2O/c1-13-27-11-18(28-13,15-5-3-2-4-6-15)12-29-10-14-7-16(19(21,22)23)9-17(8-14)20(24,25)26/h2-9H,10-12H2,1H3,(H,27,28)
InChIKeyCFQRGYHLFLBROB-UHFFFAOYSA-N
XLogP5.16
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.37
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)-4,5-dihydrooxazol-2-amine
CID 52940937
N-[(1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-N',N'-dimethylethane-1,2-diamine
CID 44413217
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]-5-(4-fluorophenyl)-1,4-dihydroimidazole
CID 10159084
(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-ethyl-3-methyl-5-phenyl-4H-imidazole
CID 10161546
(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
[(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1,4-dihydroimidazol-2-yl]cyanamide
CID 10226225
tert-butyl N-[[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]methyl]carbamate
CID 10230780
(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-amine
CID 10274349

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-5-phenyl-1,4-dihydroimidazole?
The IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-5-phenyl-1,4-dihydroimidazole (CID 10158825) is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-5-phenyl-1,4-dihydroimidazole.
What is the SMILES notation for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-5-phenyl-1,4-dihydroimidazole?
The canonical SMILES for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-5-phenyl-1,4-dihydroimidazole is CC1=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-methyl-5-phenyl-1,4-dihydroimidazole?
The InChIKey is CFQRGYHLFLBROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N2O/c1-13-27-11-18(28-13,15-5-3-2-4-6-15)12-29-10-14-7-16(19(21,22)23)9-17(8-14)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-methyl-5-phenyl-1,4-dihydroimidazole?
5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-5-phenyl-1,4-dihydroimidazole has a molecular weight of 416.37 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-5-phenyl-1,4-dihydroimidazole is sourced from PubChem (CID 10158825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).