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

C27H25F3N2O — CID 59251264

IUPAC2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCCc1ccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3ccccc3C(F)(F)F)cc2)cc1
InChIInChI=1S/C27H25F3N2O/c1-4-18-9-11-19(12-10-18)20-13-15-21(16-14-20)32-17-24(26(2,3)33)31-25(32)22-7-5-6-8-23(22)27(28,29)30/h5-17,33H,4H2,1-3H3
InChIKeyHXSBEPYJKVMESY-UHFFFAOYSA-N
MW450.50 g/mol
LogP7.01
Rot. Bonds5

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

2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 59251264) has the molecular formula C27H25F3N2O and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID59251264
Molecular FormulaC27H25F3N2O
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCCc1ccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3ccccc3C(F)(F)F)cc2)cc1
InChIInChI=1S/C27H25F3N2O/c1-4-18-9-11-19(12-10-18)20-13-15-21(16-14-20)32-17-24(26(2,3)33)31-25(32)22-7-5-6-8-23(22)27(28,29)30/h5-17,33H,4H2,1-3H3
InChIKeyHXSBEPYJKVMESY-UHFFFAOYSA-N
XLogP7.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251435
2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251219
5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol
CID 59251368
2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,4,5-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251462
2-[1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251214
2-[1-[4-(2-methoxy-5-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251239
2-[1-[4-(1H-indol-4-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251527
2-[1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251460
2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251229
[2-fluoro-4-[3-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenyl] hydrogen carbonate
CID 90370887
2-[1-[4-(5-chloro-2-methoxyphenyl)phenyl]-2-[2-(1,1,2-trifluoroethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 68697642
2-[1-[2-chloro-3-(3-chlorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 154280412

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (CID 59251264) is 2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is CCc1ccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3ccccc3C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is HXSBEPYJKVMESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N2O/c1-4-18-9-11-19(12-10-18)20-13-15-21(16-14-20)32-17-24(26(2,3)33)31-25(32)22-7-5-6-8-23(22)27(28,29)30/h5-17,33H,4H2,1-3H3.
What are the key properties of 2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 450.50 g/mol, XLogP of 7.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).