1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol

C23H19F3N2O2 — CID 24958716

IUPAC1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol
SMILESCC(O)c1ccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)cc1
InChIInChI=1S/C23H19F3N2O2/c1-14(29)15-2-4-16(5-3-15)17-6-11-20-21(12-17)28-22(27-20)13-30-19-9-7-18(8-10-19)23(24,25)26/h2-12,14,29H,13H2,1H3,(H,27,28)
InChIKeyOCQBQYMBHJRRET-UHFFFAOYSA-N
MW412.41 g/mol
LogP5.88
Rot. Bonds5

About 1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol

1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol (PubChem CID 24958716) has the molecular formula C23H19F3N2O2 and a molecular weight of 412.41 g/mol. Its IUPAC name is 1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol
PubChem CID24958716
Molecular FormulaC23H19F3N2O2
Molecular Weight412.41 g/mol
Exact Mass412.14
IUPAC Name1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol
SMILESCC(O)c1ccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)cc1
InChIInChI=1S/C23H19F3N2O2/c1-14(29)15-2-4-16(5-3-15)17-6-11-20-21(12-17)28-22(27-20)13-30-19-9-7-18(8-10-19)23(24,25)26/h2-12,14,29H,13H2,1H3,(H,27,28)
InChIKeyOCQBQYMBHJRRET-UHFFFAOYSA-N
XLogP5.88
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.41
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzoic acid
CID 69080781
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
2,2-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-ol
CID 69079231
methyl 3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzoate
CID 69089344
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
6-fluoro-2-[(4-fluorophenoxy)methyl]-1H-benzimidazole
CID 23613775
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
2-[(4-methylphenoxy)methyl]-3H-benzimidazole-5-carboxylic acid
CID 84756425
2-[6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-yl]acetamide
CID 177377064
2-[(4-tert-butylphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 24958351
2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455926

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol?
The IUPAC name of 1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol (CID 24958716) is 1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol?
The canonical SMILES for 1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol is CC(O)c1ccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)cc1.
What is the InChIKey of 1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol?
The InChIKey is OCQBQYMBHJRRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O2/c1-14(29)15-2-4-16(5-3-15)17-6-11-20-21(12-17)28-22(27-20)13-30-19-9-7-18(8-10-19)23(24,25)26/h2-12,14,29H,13H2,1H3,(H,27,28).
What are the key properties of 1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol?
1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol has a molecular weight of 412.41 g/mol, XLogP of 5.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol is sourced from PubChem (CID 24958716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).