2,6-ditert-butyl-4-[2-(trifluoromethyl)benzimidazol-1-yl]phenol

C22H25F3N2O — CID 88514056

IUPAC2,6-ditert-butyl-4-[2-(trifluoromethyl)benzimidazol-1-yl]phenol
SMILESCC(C)(C)c1cc(-n2c(C(F)(F)F)nc3ccccc32)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H25F3N2O/c1-20(2,3)14-11-13(12-15(18(14)28)21(4,5)6)27-17-10-8-7-9-16(17)26-19(27)22(23,24)25/h7-12,28H,1-6H3
InChIKeyKEOYZTDIQXJNPD-UHFFFAOYSA-N
MW390.45 g/mol
LogP6.34
Rot. Bonds1

About 2,6-ditert-butyl-4-[2-(trifluoromethyl)benzimidazol-1-yl]phenol

2,6-ditert-butyl-4-[2-(trifluoromethyl)benzimidazol-1-yl]phenol (PubChem CID 88514056) has the molecular formula C22H25F3N2O and a molecular weight of 390.45 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[2-(trifluoromethyl)benzimidazol-1-yl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[2-(trifluoromethyl)benzimidazol-1-yl]phenol
PubChem CID88514056
Molecular FormulaC22H25F3N2O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name2,6-ditert-butyl-4-[2-(trifluoromethyl)benzimidazol-1-yl]phenol
SMILESCC(C)(C)c1cc(-n2c(C(F)(F)F)nc3ccccc32)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H25F3N2O/c1-20(2,3)14-11-13(12-15(18(14)28)21(4,5)6)27-17-10-8-7-9-16(17)26-19(27)22(23,24)25/h7-12,28H,1-6H3
InChIKeyKEOYZTDIQXJNPD-UHFFFAOYSA-N
XLogP6.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]aniline
CID 10132742
1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole
CID 824435
N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]acetamide
CID 141143760
6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole
CID 83450606
1-propan-2-yl-2-(trifluoromethyl)benzimidazole
CID 888592
2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol
CID 2859643
N-[1-(2,3-difluorophenyl)ethenyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]aniline;ethane
CID 143549914
1-[3-(2-aminobenzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 155032478
2,6-ditert-butyl-4-[5-chloro-2-(furan-2-yl)benzimidazol-1-yl]phenol
CID 2868220
2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-phenylindol-3-yl]-2-pyridinyl]-1-phenylindol-2-yl]-4-methylphenol
CID 154622756
5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 174549252
1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole
CID 20728113

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[2-(trifluoromethyl)benzimidazol-1-yl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[2-(trifluoromethyl)benzimidazol-1-yl]phenol (CID 88514056) is 2,6-ditert-butyl-4-[2-(trifluoromethyl)benzimidazol-1-yl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[2-(trifluoromethyl)benzimidazol-1-yl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[2-(trifluoromethyl)benzimidazol-1-yl]phenol is CC(C)(C)c1cc(-n2c(C(F)(F)F)nc3ccccc32)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[2-(trifluoromethyl)benzimidazol-1-yl]phenol?
The InChIKey is KEOYZTDIQXJNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O/c1-20(2,3)14-11-13(12-15(18(14)28)21(4,5)6)27-17-10-8-7-9-16(17)26-19(27)22(23,24)25/h7-12,28H,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-[2-(trifluoromethyl)benzimidazol-1-yl]phenol?
2,6-ditert-butyl-4-[2-(trifluoromethyl)benzimidazol-1-yl]phenol has a molecular weight of 390.45 g/mol, XLogP of 6.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[2-(trifluoromethyl)benzimidazol-1-yl]phenol is sourced from PubChem (CID 88514056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).