(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole

C21H20F6N2OS — CID 10204951

IUPAC(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole
SMILESCSC1=N[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1C
InChIInChI=1S/C21H20F6N2OS/c1-29-12-19(28-18(29)31-2,15-6-4-3-5-7-15)13-30-11-14-8-16(20(22,23)24)10-17(9-14)21(25,26)27/h3-10H,11-13H2,1-2H3/t19-/m1/s1
InChIKeyLGBUDRXHYVXULM-LJQANCHMSA-N
MW462.46 g/mol
LogP5.80
Rot. Bonds5

About (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole

(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole (PubChem CID 10204951) has the molecular formula C21H20F6N2OS and a molecular weight of 462.46 g/mol. Its IUPAC name is (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole.

Molecular Properties

Compound Name(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole
PubChem CID10204951
Molecular FormulaC21H20F6N2OS
Molecular Weight462.46 g/mol
Exact Mass462.12
IUPAC Name(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole
SMILESCSC1=N[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1C
InChIInChI=1S/C21H20F6N2OS/c1-29-12-19(28-18(29)31-2,15-6-4-3-5-7-15)13-30-11-14-8-16(20(22,23)24)10-17(9-14)21(25,26)27/h3-10H,11-13H2,1-2H3/t19-/m1/s1
InChIKeyLGBUDRXHYVXULM-LJQANCHMSA-N
XLogP5.80
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.46
LogP ≤ 55.80
H-Bond Donors ≤ 50
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-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-ethyl-3-methyl-5-phenyl-4H-imidazole
CID 10161546
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-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-amine
CID 10274349
5-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-2-methylsulfanyl-5-phenyl-1,4-dihydroimidazole
CID 22960734
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
N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]-2,2,2-trifluoroacetamide
CID 59904856

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole?
The IUPAC name of (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole (CID 10204951) is (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole.
What is the SMILES notation for (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole?
The canonical SMILES for (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole is CSC1=N[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1C.
What is the InChIKey of (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole?
The InChIKey is LGBUDRXHYVXULM-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20F6N2OS/c1-29-12-19(28-18(29)31-2,15-6-4-3-5-7-15)13-30-11-14-8-16(20(22,23)24)10-17(9-14)21(25,26)27/h3-10H,11-13H2,1-2H3/t19-/m1/s1.
What are the key properties of (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole?
(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole has a molecular weight of 462.46 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole is sourced from PubChem (CID 10204951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).