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

C17H11F3N4O — CID 135988808

IUPAC3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol
SMILESOc1c(-c2ccccc2)n[nH]c1-c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C17H11F3N4O/c18-17(19,20)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)
InChIKeyHWVATYQHANGXRF-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.34
Rot. Bonds2

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

3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol (PubChem CID 135988808) has the molecular formula C17H11F3N4O and a molecular weight of 344.30 g/mol. Its IUPAC name is 3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol.

Molecular Properties

Compound Name3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol
PubChem CID135988808
Molecular FormulaC17H11F3N4O
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol
SMILESOc1c(-c2ccccc2)n[nH]c1-c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C17H11F3N4O/c18-17(19,20)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)
InChIKeyHWVATYQHANGXRF-UHFFFAOYSA-N
XLogP4.34
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol?
The IUPAC name of 3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol (CID 135988808) is 3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol.
What is the SMILES notation for 3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol?
The canonical SMILES for 3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol is Oc1c(-c2ccccc2)n[nH]c1-c1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol?
The InChIKey is HWVATYQHANGXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O/c18-17(19,20)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-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol?
3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol has a molecular weight of 344.30 g/mol, XLogP of 4.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol is sourced from PubChem (CID 135988808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).