3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol

C17H11F3N4O2 — CID 135988759

IUPAC3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol
SMILESOc1c(-c2ccccc2)n[nH]c1-c1nc2ccc(OC(F)(F)F)cc2[nH]1
InChIInChI=1S/C17H11F3N4O2/c18-17(19,20)26-10-6-7-11-12(8-10)22-16(21-11)14-15(25)13(23-24-14)9-4-2-1-3-5-9/h1-8,25H,(H,21,22)(H,23,24)
InChIKeyZABOGWGIRFEKDS-UHFFFAOYSA-N
MW360.30 g/mol
LogP4.22
Rot. Bonds3

About 3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol

3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol (PubChem CID 135988759) has the molecular formula C17H11F3N4O2 and a molecular weight of 360.30 g/mol. Its IUPAC name is 3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol.

Molecular Properties

Compound Name3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol
PubChem CID135988759
Molecular FormulaC17H11F3N4O2
Molecular Weight360.30 g/mol
Exact Mass360.08
IUPAC Name3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol
SMILESOc1c(-c2ccccc2)n[nH]c1-c1nc2ccc(OC(F)(F)F)cc2[nH]1
InChIInChI=1S/C17H11F3N4O2/c18-17(19,20)26-10-6-7-11-12(8-10)22-16(21-11)14-15(25)13(23-24-14)9-4-2-1-3-5-9/h1-8,25H,(H,21,22)(H,23,24)
InChIKeyZABOGWGIRFEKDS-UHFFFAOYSA-N
XLogP4.22
TPSA86.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol?
The IUPAC name of 3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol (CID 135988759) is 3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol.
What is the SMILES notation for 3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol?
The canonical SMILES for 3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol is Oc1c(-c2ccccc2)n[nH]c1-c1nc2ccc(OC(F)(F)F)cc2[nH]1.
What is the InChIKey of 3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol?
The InChIKey is ZABOGWGIRFEKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2/c18-17(19,20)26-10-6-7-11-12(8-10)22-16(21-11)14-15(25)13(23-24-14)9-4-2-1-3-5-9/h1-8,25H,(H,21,22)(H,23,24).
What are the key properties of 3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol?
3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol has a molecular weight of 360.30 g/mol, XLogP of 4.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol is sourced from PubChem (CID 135988759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).