2-[1-[2-chloro-3-(3-chlorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

C25H19Cl2F3N2O — CID 154280412

IUPAC2-[1-[2-chloro-3-(3-chlorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2cccc(-c3cccc(Cl)c3)c2Cl)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C25H19Cl2F3N2O/c1-24(2,33)21-14-32(23(31-21)18-9-3-4-11-19(18)25(28,29)30)20-12-6-10-17(22(20)27)15-7-5-8-16(26)13-15/h3-14,33H,1-2H3
InChIKeyPGIXUKMNKLQYRA-UHFFFAOYSA-N
MW491.34 g/mol
LogP7.76
Rot. Bonds4

About 2-[1-[2-chloro-3-(3-chlorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

2-[1-[2-chloro-3-(3-chlorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 154280412) has the molecular formula C25H19Cl2F3N2O and a molecular weight of 491.34 g/mol. Its IUPAC name is 2-[1-[2-chloro-3-(3-chlorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[2-chloro-3-(3-chlorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID154280412
Molecular FormulaC25H19Cl2F3N2O
Molecular Weight491.34 g/mol
Exact Mass490.08
IUPAC Name2-[1-[2-chloro-3-(3-chlorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2cccc(-c3cccc(Cl)c3)c2Cl)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C25H19Cl2F3N2O/c1-24(2,33)21-14-32(23(31-21)18-9-3-4-11-19(18)25(28,29)30)20-12-6-10-17(22(20)27)15-7-5-8-16(26)13-15/h3-14,33H,1-2H3
InChIKeyPGIXUKMNKLQYRA-UHFFFAOYSA-N
XLogP7.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.34
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251460
2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,4,5-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251462
2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251229
2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251264
2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251435
5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol
CID 59251368
2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251219
2-[1-[4-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 90377927
[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-(1H-indol-4-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251527
2-[1-[4-(2-methoxy-5-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251239
2-[1-[4-(5-chloro-2-methoxyphenyl)phenyl]-2-[2-(1,1,2-trifluoroethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 68697642

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-chloro-3-(3-chlorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[2-chloro-3-(3-chlorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (CID 154280412) is 2-[1-[2-chloro-3-(3-chlorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[2-chloro-3-(3-chlorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[2-chloro-3-(3-chlorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2cccc(-c3cccc(Cl)c3)c2Cl)c(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-[1-[2-chloro-3-(3-chlorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is PGIXUKMNKLQYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2F3N2O/c1-24(2,33)21-14-32(23(31-21)18-9-3-4-11-19(18)25(28,29)30)20-12-6-10-17(22(20)27)15-7-5-8-16(26)13-15/h3-14,33H,1-2H3.
What are the key properties of 2-[1-[2-chloro-3-(3-chlorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[1-[2-chloro-3-(3-chlorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 491.34 g/mol, XLogP of 7.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-chloro-3-(3-chlorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 154280412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).