[(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate

C20H17F3N2O3 — CID 10221967

IUPAC[(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate
SMILESO=C(O[C@@H](COc1ccccc1)Cn1ccnc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O3/c21-20(22,23)16-8-6-15(7-9-16)19(26)28-18(12-25-11-10-24-14-25)13-27-17-4-2-1-3-5-17/h1-11,14,18H,12-13H2/t18-/m1/s1
InChIKeyWXGSSMRODDWZFH-GOSISDBHSA-N
MW390.36 g/mol
LogP4.21
Rot. Bonds7

About [(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate

[(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate (PubChem CID 10221967) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is [(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate
PubChem CID10221967
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Name[(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate
SMILESO=C(O[C@@H](COc1ccccc1)Cn1ccnc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O3/c21-20(22,23)16-8-6-15(7-9-16)19(26)28-18(12-25-11-10-24-14-25)13-27-17-4-2-1-3-5-17/h1-11,14,18H,12-13H2/t18-/m1/s1
InChIKeyWXGSSMRODDWZFH-GOSISDBHSA-N
XLogP4.21
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate
CID 2827447
(1-imidazol-1-yl-3-phenoxypropan-2-yl) 3-methoxybenzoate
CID 85078508
[1-(4-cyanophenoxy)-3-imidazol-1-ylpropan-2-yl] 4-iodobenzoate
CID 10183864
[(2R)-1-imidazol-1-yl-3-methoxypropan-2-yl] 4-methylbenzoate
CID 142237820
N-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide
CID 10225638
1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 54162166
(1-imidazol-1-yl-3-phenoxypropan-2-yl) N-(2,4-dimethoxyphenyl)carbamate
CID 164609534
methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate
CID 47130684
3-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]benzoic acid
CID 35140762
[(1S)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 3-(trifluoromethyl)benzoate
CID 164575855
4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one
CID 19078351
2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid
CID 117241340

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate?
The IUPAC name of [(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate (CID 10221967) is [(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate.
What is the SMILES notation for [(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate?
The canonical SMILES for [(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate is O=C(O[C@@H](COc1ccccc1)Cn1ccnc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate?
The InChIKey is WXGSSMRODDWZFH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c21-20(22,23)16-8-6-15(7-9-16)19(26)28-18(12-25-11-10-24-14-25)13-27-17-4-2-1-3-5-17/h1-11,14,18H,12-13H2/t18-/m1/s1.
What are the key properties of [(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate?
[(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate has a molecular weight of 390.36 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate is sourced from PubChem (CID 10221967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).