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

C26H23F3N2O — CID 67165729

IUPAC2-[2-[2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol
SMILESCC(C)(C)c1ccc(C=Cc2nc3cc(-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)
InChIKeyRAGRIWRGUXAZMZ-UHFFFAOYSA-N
MW436.48 g/mol
LogP7.42
Rot. Bonds3

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

2-[2-[2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol (PubChem CID 67165729) has the molecular formula C26H23F3N2O and a molecular weight of 436.48 g/mol. Its IUPAC name is 2-[2-[2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol.

Molecular Properties

Compound Name2-[2-[2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol
PubChem CID67165729
Molecular FormulaC26H23F3N2O
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC Name2-[2-[2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol
SMILESCC(C)(C)c1ccc(C=Cc2nc3cc(-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)
InChIKeyRAGRIWRGUXAZMZ-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mavatrep
CID 17751090
2-(5,6-Dimethyl-2-benzimidazolyl)phenol
CID 246546
2-(2'-Hydroxyphenyl)benzimidazole
CID 18075
2-(2-hydroxy-(1,1'-biphenyl)-3-yl)-1H-1,3-benzodiazole-5-carboximidamide
CID 1504
Cra_1144
CID 1506
2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 53344884
({3-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl}methyl)urea
CID 135528873
2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benzodiazol-2-yl}-6-phenylbenzen-1-olate
CID 135559082
Cra_1802
CID 447502
Phenol, 4,4'-[5,5'-bi-1H-benzimidazole]-2,2'-diylbis-
CID 449494
2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
CID 10472142
2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-benzoimidazole-5-carboxamidine
CID 135855944

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol?
The IUPAC name of 2-[2-[2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol (CID 67165729) is 2-[2-[2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol.
What is the SMILES notation for 2-[2-[2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol?
The canonical SMILES for 2-[2-[2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol is CC(C)(C)c1ccc(C=Cc2nc3cc(-c4ccccc4O)c(C(F)(F)F)cc3[nH]2)cc1.
What is the InChIKey of 2-[2-[2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol?
The InChIKey is RAGRIWRGUXAZMZ-UHFFFAOYSA-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).
What are the key properties of 2-[2-[2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol?
2-[2-[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-[2-(4-tert-butylphenyl)ethenyl]-6-(trifluoromethyl)-1H-benzimidazol-5-yl]phenol is sourced from PubChem (CID 67165729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).