1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol

C17H21F3N2O2 — CID 109411507

IUPAC1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol
SMILESCCOC(C)c1nccn1CC(O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C17H21F3N2O2/c1-3-24-12(2)16-21-8-9-22(16)11-14(23)10-13-6-4-5-7-15(13)17(18,19)20/h4-9,12,14,23H,3,10-11H2,1-2H3
InChIKeyBBOKEMOSFMYXSD-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.60
Rot. Bonds7

About 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol

1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 109411507) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID109411507
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol
SMILESCCOC(C)c1nccn1CC(O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C17H21F3N2O2/c1-3-24-12(2)16-21-8-9-22(16)11-14(23)10-13-6-4-5-7-15(13)17(18,19)20/h4-9,12,14,23H,3,10-11H2,1-2H3
InChIKeyBBOKEMOSFMYXSD-UHFFFAOYSA-N
XLogP3.60
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol (CID 109411507) is 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol is CCOC(C)c1nccn1CC(O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is BBOKEMOSFMYXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-3-24-12(2)16-21-8-9-22(16)11-14(23)10-13-6-4-5-7-15(13)17(18,19)20/h4-9,12,14,23H,3,10-11H2,1-2H3.
What are the key properties of 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol?
1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 342.36 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 109411507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).