2-[1-(1H-benzimidazol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]-4-phenoxyphenol

C21H15F3N2O3 — CID 4918421

IUPAC2-[1-(1H-benzimidazol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]-4-phenoxyphenol
SMILESOc1ccc(Oc2ccccc2)cc1C(O)(c1nc2ccccc2[nH]1)C(F)(F)F
InChIInChI=1S/C21H15F3N2O3/c22-21(23,24)20(28,19-25-16-8-4-5-9-17(16)26-19)15-12-14(10-11-18(15)27)29-13-6-2-1-3-7-13/h1-12,27-28H,(H,25,26)
InChIKeyOSGQWUSUIXUIHY-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.86
Rot. Bonds4

About 2-[1-(1H-benzimidazol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]-4-phenoxyphenol

2-[1-(1H-benzimidazol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]-4-phenoxyphenol (PubChem CID 4918421) has the molecular formula C21H15F3N2O3 and a molecular weight of 400.36 g/mol. Its IUPAC name is 2-[1-(1H-benzimidazol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]-4-phenoxyphenol.

Molecular Properties

Compound Name2-[1-(1H-benzimidazol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]-4-phenoxyphenol
PubChem CID4918421
Molecular FormulaC21H15F3N2O3
Molecular Weight400.36 g/mol
Exact Mass400.10
IUPAC Name2-[1-(1H-benzimidazol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]-4-phenoxyphenol
SMILESOc1ccc(Oc2ccccc2)cc1C(O)(c1nc2ccccc2[nH]1)C(F)(F)F
InChIInChI=1S/C21H15F3N2O3/c22-21(23,24)20(28,19-25-16-8-4-5-9-17(16)26-19)15-12-14(10-11-18(15)27)29-13-6-2-1-3-7-13/h1-12,27-28H,(H,25,26)
InChIKeyOSGQWUSUIXUIHY-UHFFFAOYSA-N
XLogP4.86
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol
CID 21466174
2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole
CID 68842284
1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
CID 101497115
2-(3-phenoxyphenyl)-1H-benzimidazole
CID 1042921
2-methyl-4-phenoxyphenol
CID 23089676
2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol
CID 21466577
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
3-(1H-benzimidazol-2-yloxy)benzoic acid
CID 71564536
N-(1H-benzimidazol-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]benzamide
CID 146022167
1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
CID 101497117
1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol
CID 13463093
2-(1H-benzimidazol-2-yloxy)-1H-benzimidazole
CID 21195904

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-benzimidazol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]-4-phenoxyphenol?
The IUPAC name of 2-[1-(1H-benzimidazol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]-4-phenoxyphenol (CID 4918421) is 2-[1-(1H-benzimidazol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]-4-phenoxyphenol.
What is the SMILES notation for 2-[1-(1H-benzimidazol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]-4-phenoxyphenol?
The canonical SMILES for 2-[1-(1H-benzimidazol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]-4-phenoxyphenol is Oc1ccc(Oc2ccccc2)cc1C(O)(c1nc2ccccc2[nH]1)C(F)(F)F.
What is the InChIKey of 2-[1-(1H-benzimidazol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]-4-phenoxyphenol?
The InChIKey is OSGQWUSUIXUIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O3/c22-21(23,24)20(28,19-25-16-8-4-5-9-17(16)26-19)15-12-14(10-11-18(15)27)29-13-6-2-1-3-7-13/h1-12,27-28H,(H,25,26).
What are the key properties of 2-[1-(1H-benzimidazol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]-4-phenoxyphenol?
2-[1-(1H-benzimidazol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]-4-phenoxyphenol has a molecular weight of 400.36 g/mol, XLogP of 4.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-benzimidazol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]-4-phenoxyphenol is sourced from PubChem (CID 4918421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).