6-(trifluoromethoxy)-1H-benzimidazol-4-ol

C8H5F3N2O2 — CID 131326188

IUPAC6-(trifluoromethoxy)-1H-benzimidazol-4-ol
SMILESOc1cc(OC(F)(F)F)cc2[nH]cnc12
InChIInChI=1S/C8H5F3N2O2/c9-8(10,11)15-4-1-5-7(6(14)2-4)13-3-12-5/h1-3,14H,(H,12,13)
InChIKeyDTTFQKKCCGPXDJ-UHFFFAOYSA-N
MW218.13 g/mol
LogP2.17
Rot. Bonds1

About 6-(trifluoromethoxy)-1H-benzimidazol-4-ol

6-(trifluoromethoxy)-1H-benzimidazol-4-ol (PubChem CID 131326188) has the molecular formula C8H5F3N2O2 and a molecular weight of 218.13 g/mol. Its IUPAC name is 6-(trifluoromethoxy)-1H-benzimidazol-4-ol.

Molecular Properties

Compound Name6-(trifluoromethoxy)-1H-benzimidazol-4-ol
PubChem CID131326188
Molecular FormulaC8H5F3N2O2
Molecular Weight218.13 g/mol
Exact Mass218.03
IUPAC Name6-(trifluoromethoxy)-1H-benzimidazol-4-ol
SMILESOc1cc(OC(F)(F)F)cc2[nH]cnc12
InChIInChI=1S/C8H5F3N2O2/c9-8(10,11)15-4-1-5-7(6(14)2-4)13-3-12-5/h1-3,14H,(H,12,13)
InChIKeyDTTFQKKCCGPXDJ-UHFFFAOYSA-N
XLogP2.17
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(trifluoromethoxy)-3H-benzimidazol-5-ol
CID 131326183
6-(trifluoromethoxy)-3H-benzimidazol-5-ol
CID 131326184
1-(7-hydroxy-3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one
CID 59900847
4-(trifluoromethoxy)benzene-1,2-diamine;6-(trifluoromethoxy)-1H-benzimidazole
CID 159077762
6-(trifluoromethyl)-1H-benzimidazole-4-thiol
CID 131218195
2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole
CID 87924536
1H-benzimidazol-4-ol;hydrobromide
CID 23367367
4,6-difluoro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazole
CID 175087809
5-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-d]pyridazin-4-one
CID 167745626
6-iodo-4-(trifluoromethyl)-1H-benzimidazole
CID 130981899
3,5-bis(trifluoromethoxy)benzenethiol
CID 87333511
2-(trifluoromethoxy)-7H-purine
CID 86115012

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)-1H-benzimidazol-4-ol?
The IUPAC name of 6-(trifluoromethoxy)-1H-benzimidazol-4-ol (CID 131326188) is 6-(trifluoromethoxy)-1H-benzimidazol-4-ol.
What is the SMILES notation for 6-(trifluoromethoxy)-1H-benzimidazol-4-ol?
The canonical SMILES for 6-(trifluoromethoxy)-1H-benzimidazol-4-ol is Oc1cc(OC(F)(F)F)cc2[nH]cnc12.
What is the InChIKey of 6-(trifluoromethoxy)-1H-benzimidazol-4-ol?
The InChIKey is DTTFQKKCCGPXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2/c9-8(10,11)15-4-1-5-7(6(14)2-4)13-3-12-5/h1-3,14H,(H,12,13).
What are the key properties of 6-(trifluoromethoxy)-1H-benzimidazol-4-ol?
6-(trifluoromethoxy)-1H-benzimidazol-4-ol has a molecular weight of 218.13 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)-1H-benzimidazol-4-ol is sourced from PubChem (CID 131326188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).