(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-(4-fluorophenyl)-2,3-dimethyl-4H-imidazole

C22H21F7N2O — CID 59904882

IUPAC(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-(4-fluorophenyl)-2,3-dimethyl-4H-imidazole
SMILESCC1=N[C@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CN1C
InChIInChI=1S/C22H21F7N2O/c1-13(15-8-17(21(24,25)26)10-18(9-15)22(27,28)29)32-12-20(11-31(3)14(2)30-20)16-4-6-19(23)7-5-16/h4-10,13H,11-12H2,1-3H3/t13-,20-/m1/s1
InChIKeyGZAOWPOOGOAWHQ-ZUOKHONESA-N
MW462.41 g/mol
LogP6.20
Rot. Bonds5

About (5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-(4-fluorophenyl)-2,3-dimethyl-4H-imidazole

(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-(4-fluorophenyl)-2,3-dimethyl-4H-imidazole (PubChem CID 59904882) has the molecular formula C22H21F7N2O and a molecular weight of 462.41 g/mol. Its IUPAC name is (5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-(4-fluorophenyl)-2,3-dimethyl-4H-imidazole.

Molecular Properties

Compound Name(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-(4-fluorophenyl)-2,3-dimethyl-4H-imidazole
PubChem CID59904882
Molecular FormulaC22H21F7N2O
Molecular Weight462.41 g/mol
Exact Mass462.15
IUPAC Name(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-(4-fluorophenyl)-2,3-dimethyl-4H-imidazole
SMILESCC1=N[C@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CN1C
InChIInChI=1S/C22H21F7N2O/c1-13(15-8-17(21(24,25)26)10-18(9-15)22(27,28)29)32-12-20(11-31(3)14(2)30-20)16-4-6-19(23)7-5-16/h4-10,13H,11-12H2,1-3H3/t13-,20-/m1/s1
InChIKeyGZAOWPOOGOAWHQ-ZUOKHONESA-N
XLogP6.20
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.41
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethyl]-4,5-dihydroimidazole
CID 9950845
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
(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 (5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-(4-fluorophenyl)-2,3-dimethyl-4H-imidazole?
The IUPAC name of (5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-(4-fluorophenyl)-2,3-dimethyl-4H-imidazole (CID 59904882) is (5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-(4-fluorophenyl)-2,3-dimethyl-4H-imidazole.
What is the SMILES notation for (5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-(4-fluorophenyl)-2,3-dimethyl-4H-imidazole?
The canonical SMILES for (5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-(4-fluorophenyl)-2,3-dimethyl-4H-imidazole is CC1=N[C@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CN1C.
What is the InChIKey of (5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-(4-fluorophenyl)-2,3-dimethyl-4H-imidazole?
The InChIKey is GZAOWPOOGOAWHQ-ZUOKHONESA-N. The full InChI is InChI=1S/C22H21F7N2O/c1-13(15-8-17(21(24,25)26)10-18(9-15)22(27,28)29)32-12-20(11-31(3)14(2)30-20)16-4-6-19(23)7-5-16/h4-10,13H,11-12H2,1-3H3/t13-,20-/m1/s1.
What are the key properties of (5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-(4-fluorophenyl)-2,3-dimethyl-4H-imidazole?
(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-(4-fluorophenyl)-2,3-dimethyl-4H-imidazole has a molecular weight of 462.41 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-(4-fluorophenyl)-2,3-dimethyl-4H-imidazole is sourced from PubChem (CID 59904882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).