2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

C25H19F5N2O — CID 59251219

IUPAC2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3ccc(F)cc3F)cc2)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C25H19F5N2O/c1-24(2,33)22-14-32(23(31-22)19-5-3-4-6-20(19)25(28,29)30)17-10-7-15(8-11-17)18-12-9-16(26)13-21(18)27/h3-14,33H,1-2H3
InChIKeyZGCQOMKEZHEZEE-UHFFFAOYSA-N
MW458.43 g/mol
LogP6.73
Rot. Bonds4

About 2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 59251219) has the molecular formula C25H19F5N2O and a molecular weight of 458.43 g/mol. Its IUPAC name is 2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID59251219
Molecular FormulaC25H19F5N2O
Molecular Weight458.43 g/mol
Exact Mass458.14
IUPAC Name2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3ccc(F)cc3F)cc2)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C25H19F5N2O/c1-24(2,33)22-14-32(23(31-22)19-5-3-4-6-20(19)25(28,29)30)17-10-7-15(8-11-17)18-12-9-16(26)13-21(18)27/h3-14,33H,1-2H3
InChIKeyZGCQOMKEZHEZEE-UHFFFAOYSA-N
XLogP6.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.43
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (CID 59251219) is 2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2ccc(-c3ccc(F)cc3F)cc2)c(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is ZGCQOMKEZHEZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F5N2O/c1-24(2,33)22-14-32(23(31-22)19-5-3-4-6-20(19)25(28,29)30)17-10-7-15(8-11-17)18-12-9-16(26)13-21(18)27/h3-14,33H,1-2H3.
What are the key properties of 2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 458.43 g/mol, XLogP of 6.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).