6-(trifluoromethoxy)-3H-benzimidazol-5-ol

C8H5F3N2O2 — CID 131326184

IUPAC6-(trifluoromethoxy)-3H-benzimidazol-5-ol
SMILESOc1cc2[nH]cnc2cc1OC(F)(F)F
InChIInChI=1S/C8H5F3N2O2/c9-8(10,11)15-7-2-5-4(1-6(7)14)12-3-13-5/h1-3,14H,(H,12,13)
InChIKeyLSFJUYREWSARLL-UHFFFAOYSA-N
MW218.13 g/mol
LogP2.17
Rot. Bonds1

About 6-(trifluoromethoxy)-3H-benzimidazol-5-ol

6-(trifluoromethoxy)-3H-benzimidazol-5-ol (PubChem CID 131326184) has the molecular formula C8H5F3N2O2 and a molecular weight of 218.13 g/mol. Its IUPAC name is 6-(trifluoromethoxy)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name6-(trifluoromethoxy)-3H-benzimidazol-5-ol
PubChem CID131326184
Molecular FormulaC8H5F3N2O2
Molecular Weight218.13 g/mol
Exact Mass218.03
IUPAC Name6-(trifluoromethoxy)-3H-benzimidazol-5-ol
SMILESOc1cc2[nH]cnc2cc1OC(F)(F)F
InChIInChI=1S/C8H5F3N2O2/c9-8(10,11)15-7-2-5-4(1-6(7)14)12-3-13-5/h1-3,14H,(H,12,13)
InChIKeyLSFJUYREWSARLL-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-propylsulfonyl-5-(trifluoromethoxy)-1H-benzimidazole
CID 141252312
6-(difluoromethyl)-1H-benzimidazol-5-ol
CID 130882278
6-(trifluoromethoxy)-1H-benzimidazol-4-ol
CID 131326188
4-(trifluoromethoxy)benzene-1,2-diamine;6-(trifluoromethoxy)-1H-benzimidazole
CID 159077762
6-amino-1H-benzimidazol-5-ol
CID 82417589
5-(3,4-dichlorophenoxy)-6-(trifluoromethyl)-1H-benzimidazole
CID 141252314
5-chloro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazole
CID 141252380
6-hydroxy-3H-benzimidazole-5-carboxamide
CID 130781668
6-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide
CID 157021510
4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol
CID 138384706
4-iodo-2-(trifluoromethoxy)phenol
CID 151053566

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)-3H-benzimidazol-5-ol?
The IUPAC name of 6-(trifluoromethoxy)-3H-benzimidazol-5-ol (CID 131326184) is 6-(trifluoromethoxy)-3H-benzimidazol-5-ol.
What is the SMILES notation for 6-(trifluoromethoxy)-3H-benzimidazol-5-ol?
The canonical SMILES for 6-(trifluoromethoxy)-3H-benzimidazol-5-ol is Oc1cc2[nH]cnc2cc1OC(F)(F)F.
What is the InChIKey of 6-(trifluoromethoxy)-3H-benzimidazol-5-ol?
The InChIKey is LSFJUYREWSARLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2/c9-8(10,11)15-7-2-5-4(1-6(7)14)12-3-13-5/h1-3,14H,(H,12,13).
What are the key properties of 6-(trifluoromethoxy)-3H-benzimidazol-5-ol?
6-(trifluoromethoxy)-3H-benzimidazol-5-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)-3H-benzimidazol-5-ol is sourced from PubChem (CID 131326184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).