2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol

C26H23F3N2O — CID 59008087

IUPAC2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol
SMILESCC(C)(C)c1ccc(/C=C/c2nc3cc(-c4ccccc4O)c(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C26H23F3N2O/c1-25(2,3)17-11-8-16(9-12-17)10-13-24-30-21-14-19(18-6-4-5-7-23(18)32)20(26(27,28)29)15-22(21)31-24/h4-15,32H,1-3H3,(H,30,31)/b13-10+
InChIKeyRAGRIWRGUXAZMZ-JLHYYAGUSA-N
MW436.48 g/mol
LogP7.42
Rot. Bonds3

About 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol

2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol (PubChem CID 59008087) has the molecular formula C26H23F3N2O and a molecular weight of 436.48 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol.

Molecular Properties

Compound Name2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol
PubChem CID59008087
Molecular FormulaC26H23F3N2O
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC Name2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol
SMILESCC(C)(C)c1ccc(/C=C/c2nc3cc(-c4ccccc4O)c(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C26H23F3N2O/c1-25(2,3)17-11-8-16(9-12-17)10-13-24-30-21-14-19(18-6-4-5-7-23(18)32)20(26(27,28)29)15-22(21)31-24/h4-15,32H,1-3H3,(H,30,31)/b13-10+
InChIKeyRAGRIWRGUXAZMZ-JLHYYAGUSA-N
XLogP7.42
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.48
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 17751090
CID 17751090
CID 246546
CID 246546
CID 18075
CID 18075
CID 1504
CID 1504
CID 1506
CID 1506
CID 53344884
CID 53344884
CID 135528873
CID 135528873
CID 135559082
CID 135559082
CID 447502
CID 447502
CID 449494
CID 449494
CID 10472142
CID 10472142
CID 135855944
CID 135855944

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol?
The IUPAC name of 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol (CID 59008087) is 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol.
What is the SMILES notation for 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol?
The canonical SMILES for 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol is CC(C)(C)c1ccc(/C=C/c2nc3cc(-c4ccccc4O)c(C(F)(F)F)cc3[nH]2)cc1.
What is the InChIKey of 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol?
The InChIKey is RAGRIWRGUXAZMZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C26H23F3N2O/c1-25(2,3)17-11-8-16(9-12-17)10-13-24-30-21-14-19(18-6-4-5-7-23(18)32)20(26(27,28)29)15-22(21)31-24/h4-15,32H,1-3H3,(H,30,31)/b13-10+.
What are the key properties of 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol?
2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol has a molecular weight of 436.48 g/mol, XLogP of 7.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol is sourced from PubChem (CID 59008087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).