1,1,1,3,3,3-hexafluoro-2-[4-(4-phenyl-1-propylimidazol-2-yl)phenyl]propan-2-ol

C21H18F6N2O — CID 10137399

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-(4-phenyl-1-propylimidazol-2-yl)phenyl]propan-2-ol
SMILESCCCn1cc(-c2ccccc2)nc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C21H18F6N2O/c1-2-12-29-13-17(14-6-4-3-5-7-14)28-18(29)15-8-10-16(11-9-15)19(30,20(22,23)24)21(25,26)27/h3-11,13,30H,2,12H2,1H3
InChIKeyXGXBRGSNRRUHEM-UHFFFAOYSA-N
MW428.38 g/mol
LogP5.94
Rot. Bonds5

About 1,1,1,3,3,3-hexafluoro-2-[4-(4-phenyl-1-propylimidazol-2-yl)phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-(4-phenyl-1-propylimidazol-2-yl)phenyl]propan-2-ol (PubChem CID 10137399) has the molecular formula C21H18F6N2O and a molecular weight of 428.38 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-(4-phenyl-1-propylimidazol-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-(4-phenyl-1-propylimidazol-2-yl)phenyl]propan-2-ol
PubChem CID10137399
Molecular FormulaC21H18F6N2O
Molecular Weight428.38 g/mol
Exact Mass428.13
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-(4-phenyl-1-propylimidazol-2-yl)phenyl]propan-2-ol
SMILESCCCn1cc(-c2ccccc2)nc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C21H18F6N2O/c1-2-12-29-13-17(14-6-4-3-5-7-14)28-18(29)15-8-10-16(11-9-15)19(30,20(22,23)24)21(25,26)27/h3-11,13,30H,2,12H2,1H3
InChIKeyXGXBRGSNRRUHEM-UHFFFAOYSA-N
XLogP5.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.38
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1,3,3,3-hexafluoro-2-[4-(4-phenyl-1-propylimidazol-2-yl)phenyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(4-phenyl-1-propylimidazol-2-yl)phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(4-phenyl-1-propylimidazol-2-yl)phenyl]propan-2-ol (CID 10137399) is 1,1,1,3,3,3-hexafluoro-2-[4-(4-phenyl-1-propylimidazol-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-(4-phenyl-1-propylimidazol-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-(4-phenyl-1-propylimidazol-2-yl)phenyl]propan-2-ol is CCCn1cc(-c2ccccc2)nc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-(4-phenyl-1-propylimidazol-2-yl)phenyl]propan-2-ol?
The InChIKey is XGXBRGSNRRUHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F6N2O/c1-2-12-29-13-17(14-6-4-3-5-7-14)28-18(29)15-8-10-16(11-9-15)19(30,20(22,23)24)21(25,26)27/h3-11,13,30H,2,12H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-(4-phenyl-1-propylimidazol-2-yl)phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-(4-phenyl-1-propylimidazol-2-yl)phenyl]propan-2-ol has a molecular weight of 428.38 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-(4-phenyl-1-propylimidazol-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 10137399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).