1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methyl-2-phenylimidazol-1-yl)methyl]pentan-2-ol

C24H26F4N2O2 — CID 22398586

IUPAC1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methyl-2-phenylimidazol-1-yl)methyl]pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cn1cc(C)nc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H26F4N2O2/c1-16-13-30(21(29-16)17-8-6-5-7-9-17)15-23(31,24(26,27)28)14-22(2,3)19-12-18(25)10-11-20(19)32-4/h5-13,31H,14-15H2,1-4H3
InChIKeyOWKCEPYQUOFRFE-UHFFFAOYSA-N
MW450.48 g/mol
LogP5.67
Rot. Bonds7

About 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methyl-2-phenylimidazol-1-yl)methyl]pentan-2-ol

1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methyl-2-phenylimidazol-1-yl)methyl]pentan-2-ol (PubChem CID 22398586) has the molecular formula C24H26F4N2O2 and a molecular weight of 450.48 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methyl-2-phenylimidazol-1-yl)methyl]pentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methyl-2-phenylimidazol-1-yl)methyl]pentan-2-ol
PubChem CID22398586
Molecular FormulaC24H26F4N2O2
Molecular Weight450.48 g/mol
Exact Mass450.19
IUPAC Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methyl-2-phenylimidazol-1-yl)methyl]pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cn1cc(C)nc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H26F4N2O2/c1-16-13-30(21(29-16)17-8-6-5-7-9-17)15-23(31,24(26,27)28)14-22(2,3)19-12-18(25)10-11-20(19)32-4/h5-13,31H,14-15H2,1-4H3
InChIKeyOWKCEPYQUOFRFE-UHFFFAOYSA-N
XLogP5.67
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.48
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methyl-2-phenylimidazol-1-yl)methyl]pentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methyl-2-phenylimidazol-1-yl)methyl]pentan-2-ol (CID 22398586) is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methyl-2-phenylimidazol-1-yl)methyl]pentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methyl-2-phenylimidazol-1-yl)methyl]pentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methyl-2-phenylimidazol-1-yl)methyl]pentan-2-ol is COc1ccc(F)cc1C(C)(C)CC(O)(Cn1cc(C)nc1-c1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methyl-2-phenylimidazol-1-yl)methyl]pentan-2-ol?
The InChIKey is OWKCEPYQUOFRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N2O2/c1-16-13-30(21(29-16)17-8-6-5-7-9-17)15-23(31,24(26,27)28)14-22(2,3)19-12-18(25)10-11-20(19)32-4/h5-13,31H,14-15H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methyl-2-phenylimidazol-1-yl)methyl]pentan-2-ol?
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methyl-2-phenylimidazol-1-yl)methyl]pentan-2-ol has a molecular weight of 450.48 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methyl-2-phenylimidazol-1-yl)methyl]pentan-2-ol is sourced from PubChem (CID 22398586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).