2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol

C14H8F4N2O — CID 168555704

IUPAC2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol
SMILESOc1cc(F)c(C(F)(F)F)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C14H8F4N2O/c15-9-6-12(21)7(5-8(9)14(16,17)18)13-19-10-3-1-2-4-11(10)20-13/h1-6,21H,(H,19,20)
InChIKeyVJPVHJGXOZYLAM-UHFFFAOYSA-N
MW296.22 g/mol
LogP4.09
Rot. Bonds1

About 2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol

2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol (PubChem CID 168555704) has the molecular formula C14H8F4N2O and a molecular weight of 296.22 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol
PubChem CID168555704
Molecular FormulaC14H8F4N2O
Molecular Weight296.22 g/mol
Exact Mass296.06
IUPAC Name2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol
SMILESOc1cc(F)c(C(F)(F)F)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C14H8F4N2O/c15-9-6-12(21)7(5-8(9)14(16,17)18)13-19-10-3-1-2-4-11(10)20-13/h1-6,21H,(H,19,20)
InChIKeyVJPVHJGXOZYLAM-UHFFFAOYSA-N
XLogP4.09
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole
CID 168555452
2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole
CID 168554182
2-(1H-benzimidazol-2-yl)-6-fluorophenol
CID 168553450
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
5-amino-2-(1H-benzimidazol-2-yl)phenol
CID 135578129
2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol
CID 147978461
2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 168555765
2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022
4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol
CID 136781810
3-(1H-benzimidazol-2-yl)-5-tert-butyl-4-hydroxybenzoic acid
CID 141482753
2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol
CID 136903850

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol (CID 168555704) is 2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol is Oc1cc(F)c(C(F)(F)F)cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol?
The InChIKey is VJPVHJGXOZYLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2O/c15-9-6-12(21)7(5-8(9)14(16,17)18)13-19-10-3-1-2-4-11(10)20-13/h1-6,21H,(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol?
2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol has a molecular weight of 296.22 g/mol, XLogP of 4.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol is sourced from PubChem (CID 168555704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).