2,2-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-ol

C26H25F3N2O2 — CID 69079231

IUPAC2,2-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-ol
SMILESCC(C)(C)C(O)c1ccccc1-c1ccc2nc(COc3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C26H25F3N2O2/c1-25(2,3)24(32)20-7-5-4-6-19(20)16-8-13-21-22(14-16)31-23(30-21)15-33-18-11-9-17(10-12-18)26(27,28)29/h4-14,24,32H,15H2,1-3H3,(H,30,31)
InChIKeyWUBJJJHWXKTINY-UHFFFAOYSA-N
MW454.49 g/mol
LogP6.91
Rot. Bonds5

About 2,2-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-ol

2,2-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-ol (PubChem CID 69079231) has the molecular formula C26H25F3N2O2 and a molecular weight of 454.49 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-ol
PubChem CID69079231
Molecular FormulaC26H25F3N2O2
Molecular Weight454.49 g/mol
Exact Mass454.19
IUPAC Name2,2-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-ol
SMILESCC(C)(C)C(O)c1ccccc1-c1ccc2nc(COc3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C26H25F3N2O2/c1-25(2,3)24(32)20-7-5-4-6-19(20)16-8-13-21-22(14-16)31-23(30-21)15-33-18-11-9-17(10-12-18)26(27,28)29/h4-14,24,32H,15H2,1-3H3,(H,30,31)
InChIKeyWUBJJJHWXKTINY-UHFFFAOYSA-N
XLogP6.91
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.49
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]butan-1-ol
CID 143702615
2-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]-1-(trimethyl-λ4-sulfanyl)ethanol
CID 69077588
1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol
CID 24958716
4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzoic acid
CID 69080781
2-[(4-tert-butylphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 24958351
methyl 3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzoate
CID 69089344
N-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]acetamide;1-[3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol
CID 161481554
2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 24958354
2-[(3-methoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole;2-[(4-methoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole;6-(4-methoxyphenyl)-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-(2-methylsulfonylphenyl)-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-(3-methylsulfonylphenyl)-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;sulfur monoxide
CID 158109239
1-[2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol
CID 67165444
2-[(4-bromophenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 24957598
1-[2-[2-[2-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol
CID 91021143

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-ol (CID 69079231) is 2,2-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-ol is CC(C)(C)C(O)c1ccccc1-c1ccc2nc(COc3ccc(C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 2,2-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-ol?
The InChIKey is WUBJJJHWXKTINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O2/c1-25(2,3)24(32)20-7-5-4-6-19(20)16-8-13-21-22(14-16)31-23(30-21)15-33-18-11-9-17(10-12-18)26(27,28)29/h4-14,24,32H,15H2,1-3H3,(H,30,31).
What are the key properties of 2,2-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-ol?
2,2-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-ol has a molecular weight of 454.49 g/mol, XLogP of 6.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-ol is sourced from PubChem (CID 69079231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).