2-[5-[4-[difluoro-(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-2-methylpropan-1-ol

C27H23F5N2O2 — CID 25008260

IUPAC2-[5-[4-[difluoro-(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ncc(-c2ccc(OC(F)(F)c3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C27H23F5N2O2/c1-25(2,16-35)24-33-15-22(34-24)19-10-13-23(21(14-19)26(28,29)30)36-27(31,32)20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-15,35H,16H2,1-2H3,(H,33,34)
InChIKeySDCYQUKIYKSTAK-UHFFFAOYSA-N
MW502.48 g/mol
LogP7.16
Rot. Bonds7

About 2-[5-[4-[difluoro-(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-2-methylpropan-1-ol

2-[5-[4-[difluoro-(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-2-methylpropan-1-ol (PubChem CID 25008260) has the molecular formula C27H23F5N2O2 and a molecular weight of 502.48 g/mol. Its IUPAC name is 2-[5-[4-[difluoro-(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[5-[4-[difluoro-(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-2-methylpropan-1-ol
PubChem CID25008260
Molecular FormulaC27H23F5N2O2
Molecular Weight502.48 g/mol
Exact Mass502.17
IUPAC Name2-[5-[4-[difluoro-(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ncc(-c2ccc(OC(F)(F)c3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C27H23F5N2O2/c1-25(2,16-35)24-33-15-22(34-24)19-10-13-23(21(14-19)26(28,29)30)36-27(31,32)20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-15,35H,16H2,1-2H3,(H,33,34)
InChIKeySDCYQUKIYKSTAK-UHFFFAOYSA-N
XLogP7.16
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.48
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[difluoro-(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[5-[4-[difluoro-(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-2-methylpropan-1-ol (CID 25008260) is 2-[5-[4-[difluoro-(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[5-[4-[difluoro-(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[5-[4-[difluoro-(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-2-methylpropan-1-ol is CC(C)(CO)c1ncc(-c2ccc(OC(F)(F)c3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)[nH]1.
What is the InChIKey of 2-[5-[4-[difluoro-(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-2-methylpropan-1-ol?
The InChIKey is SDCYQUKIYKSTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F5N2O2/c1-25(2,16-35)24-33-15-22(34-24)19-10-13-23(21(14-19)26(28,29)30)36-27(31,32)20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-15,35H,16H2,1-2H3,(H,33,34).
What are the key properties of 2-[5-[4-[difluoro-(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-2-methylpropan-1-ol?
2-[5-[4-[difluoro-(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-2-methylpropan-1-ol has a molecular weight of 502.48 g/mol, XLogP of 7.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[difluoro-(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 25008260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).