2-[1-[4-[2-ethoxy-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

C28H24F6N2O2 — CID 59251241

IUPAC2-[1-[4-[2-ethoxy-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCCOc1ccc(C(F)(F)F)cc1-c1ccc(-n2cc(C(C)(C)O)nc2-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C28H24F6N2O2/c1-4-38-23-14-11-18(27(29,30)31)15-21(23)17-9-12-19(13-10-17)36-16-24(26(2,3)37)35-25(36)20-7-5-6-8-22(20)28(32,33)34/h5-16,37H,4H2,1-3H3
InChIKeySJKGQHBIJQDTIE-UHFFFAOYSA-N
MW534.50 g/mol
LogP7.87
Rot. Bonds6

About 2-[1-[4-[2-ethoxy-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

2-[1-[4-[2-ethoxy-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 59251241) has the molecular formula C28H24F6N2O2 and a molecular weight of 534.50 g/mol. Its IUPAC name is 2-[1-[4-[2-ethoxy-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[4-[2-ethoxy-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID59251241
Molecular FormulaC28H24F6N2O2
Molecular Weight534.50 g/mol
Exact Mass534.17
IUPAC Name2-[1-[4-[2-ethoxy-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCCOc1ccc(C(F)(F)F)cc1-c1ccc(-n2cc(C(C)(C)O)nc2-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C28H24F6N2O2/c1-4-38-23-14-11-18(27(29,30)31)15-21(23)17-9-12-19(13-10-17)36-16-24(26(2,3)37)35-25(36)20-7-5-6-8-22(20)28(32,33)34/h5-16,37H,4H2,1-3H3
InChIKeySJKGQHBIJQDTIE-UHFFFAOYSA-N
XLogP7.87
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.50
LogP ≤ 57.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[2-ethoxy-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[4-[2-ethoxy-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (CID 59251241) is 2-[1-[4-[2-ethoxy-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[4-[2-ethoxy-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[4-[2-ethoxy-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is CCOc1ccc(C(F)(F)F)cc1-c1ccc(-n2cc(C(C)(C)O)nc2-c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-[1-[4-[2-ethoxy-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is SJKGQHBIJQDTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F6N2O2/c1-4-38-23-14-11-18(27(29,30)31)15-21(23)17-9-12-19(13-10-17)36-16-24(26(2,3)37)35-25(36)20-7-5-6-8-22(20)28(32,33)34/h5-16,37H,4H2,1-3H3.
What are the key properties of 2-[1-[4-[2-ethoxy-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[1-[4-[2-ethoxy-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 534.50 g/mol, XLogP of 7.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[2-ethoxy-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).