1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-[2-(oxan-2-yloxymethyl)phenyl]ethanol

C23H24F2N2O3 — CID 10476884

IUPAC1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-[2-(oxan-2-yloxymethyl)phenyl]ethanol
SMILESOC(Cn1ccnc1)(c1ccc(F)cc1F)c1ccccc1COC1CCCCO1
InChIInChI=1S/C23H24F2N2O3/c24-18-8-9-20(21(25)13-18)23(28,15-27-11-10-26-16-27)19-6-2-1-5-17(19)14-30-22-7-3-4-12-29-22/h1-2,5-6,8-11,13,16,22,28H,3-4,7,12,14-15H2
InChIKeySAEUMYKPBCZWME-UHFFFAOYSA-N
MW414.45 g/mol
LogP4.14
Rot. Bonds7

About 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-[2-(oxan-2-yloxymethyl)phenyl]ethanol

1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-[2-(oxan-2-yloxymethyl)phenyl]ethanol (PubChem CID 10476884) has the molecular formula C23H24F2N2O3 and a molecular weight of 414.45 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-[2-(oxan-2-yloxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-[2-(oxan-2-yloxymethyl)phenyl]ethanol
PubChem CID10476884
Molecular FormulaC23H24F2N2O3
Molecular Weight414.45 g/mol
Exact Mass414.18
IUPAC Name1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-[2-(oxan-2-yloxymethyl)phenyl]ethanol
SMILESOC(Cn1ccnc1)(c1ccc(F)cc1F)c1ccccc1COC1CCCCO1
InChIInChI=1S/C23H24F2N2O3/c24-18-8-9-20(21(25)13-18)23(28,15-27-11-10-26-16-27)19-6-2-1-5-17(19)14-30-22-7-3-4-12-29-22/h1-2,5-6,8-11,13,16,22,28H,3-4,7,12,14-15H2
InChIKeySAEUMYKPBCZWME-UHFFFAOYSA-N
XLogP4.14
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-[2-(oxan-2-yloxymethyl)phenyl]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-[2-(oxan-2-yloxymethyl)phenyl]ethanol (CID 10476884) is 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-[2-(oxan-2-yloxymethyl)phenyl]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-[2-(oxan-2-yloxymethyl)phenyl]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-[2-(oxan-2-yloxymethyl)phenyl]ethanol is OC(Cn1ccnc1)(c1ccc(F)cc1F)c1ccccc1COC1CCCCO1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-[2-(oxan-2-yloxymethyl)phenyl]ethanol?
The InChIKey is SAEUMYKPBCZWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O3/c24-18-8-9-20(21(25)13-18)23(28,15-27-11-10-26-16-27)19-6-2-1-5-17(19)14-30-22-7-3-4-12-29-22/h1-2,5-6,8-11,13,16,22,28H,3-4,7,12,14-15H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-[2-(oxan-2-yloxymethyl)phenyl]ethanol?
1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-[2-(oxan-2-yloxymethyl)phenyl]ethanol has a molecular weight of 414.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-[2-(oxan-2-yloxymethyl)phenyl]ethanol is sourced from PubChem (CID 10476884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).