2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol

C14H9F3N2O2 — CID 136903850

IUPAC2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol
SMILESOc1ccc(O)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C14H9F3N2O2/c15-14(16,17)7-1-3-10-11(5-7)19-13(18-10)9-6-8(20)2-4-12(9)21/h1-6,20-21H,(H,18,19)
InChIKeyRRTIQYKJTVZYBK-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.66
Rot. Bonds1

About 2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol

2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol (PubChem CID 136903850) has the molecular formula C14H9F3N2O2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol
PubChem CID136903850
Molecular FormulaC14H9F3N2O2
Molecular Weight294.23 g/mol
Exact Mass294.06
IUPAC Name2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol
SMILESOc1ccc(O)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C14H9F3N2O2/c15-14(16,17)7-1-3-10-11(5-7)19-13(18-10)9-6-8(20)2-4-12(9)21/h1-6,20-21H,(H,18,19)
InChIKeyRRTIQYKJTVZYBK-UHFFFAOYSA-N
XLogP3.66
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol
CID 135616944
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455930
2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 107963358
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
2-(2,5-difluorophenyl)-3H-benzimidazol-5-ol
CID 81432602
2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455237
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455824
4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903703
2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 14957639

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol?
The IUPAC name of 2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol (CID 136903850) is 2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol.
What is the SMILES notation for 2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol?
The canonical SMILES for 2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol is Oc1ccc(O)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1.
What is the InChIKey of 2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol?
The InChIKey is RRTIQYKJTVZYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2/c15-14(16,17)7-1-3-10-11(5-7)19-13(18-10)9-6-8(20)2-4-12(9)21/h1-6,20-21H,(H,18,19).
What are the key properties of 2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol?
2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol has a molecular weight of 294.23 g/mol, XLogP of 3.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol is sourced from PubChem (CID 136903850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).