5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol

C16H11FN4O — CID 135988639

IUPAC5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol
SMILESOc1c(-c2ccccc2)n[nH]c1-c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H11FN4O/c17-10-6-7-11-12(8-10)19-16(18-11)14-15(22)13(20-21-14)9-4-2-1-3-5-9/h1-8,22H,(H,18,19)(H,20,21)
InChIKeyDCFUEWFIFXMNGN-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.46
Rot. Bonds2

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

5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol (PubChem CID 135988639) has the molecular formula C16H11FN4O and a molecular weight of 294.29 g/mol. Its IUPAC name is 5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol.

Molecular Properties

Compound Name5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol
PubChem CID135988639
Molecular FormulaC16H11FN4O
Molecular Weight294.29 g/mol
Exact Mass294.09
IUPAC Name5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol
SMILESOc1c(-c2ccccc2)n[nH]c1-c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H11FN4O/c17-10-6-7-11-12(8-10)19-16(18-11)14-15(22)13(20-21-14)9-4-2-1-3-5-9/h1-8,22H,(H,18,19)(H,20,21)
InChIKeyDCFUEWFIFXMNGN-UHFFFAOYSA-N
XLogP3.46
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-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 5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol?
The IUPAC name of 5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol (CID 135988639) is 5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol.
What is the SMILES notation for 5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol?
The canonical SMILES for 5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol is Oc1c(-c2ccccc2)n[nH]c1-c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol?
The InChIKey is DCFUEWFIFXMNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O/c17-10-6-7-11-12(8-10)19-16(18-11)14-15(22)13(20-21-14)9-4-2-1-3-5-9/h1-8,22H,(H,18,19)(H,20,21).
What are the key properties of 5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol?
5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol has a molecular weight of 294.29 g/mol, XLogP of 3.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol is sourced from PubChem (CID 135988639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).