6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile

C17H10FN5O — CID 135857312

IUPAC6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile
SMILESN#Cc1cc2nc(-c3[nH]nc(-c4ccccc4)c3O)[nH]c2cc1F
InChIInChI=1S/C17H10FN5O/c18-11-7-13-12(6-10(11)8-19)20-17(21-13)15-16(24)14(22-23-15)9-4-2-1-3-5-9/h1-7,24H,(H,20,21)(H,22,23)
InChIKeyHVAFURVFQKFWQZ-UHFFFAOYSA-N
MW319.30 g/mol
LogP3.34
Rot. Bonds2

About 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile

6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile (PubChem CID 135857312) has the molecular formula C17H10FN5O and a molecular weight of 319.30 g/mol. Its IUPAC name is 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile
PubChem CID135857312
Molecular FormulaC17H10FN5O
Molecular Weight319.30 g/mol
Exact Mass319.09
IUPAC Name6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile
SMILESN#Cc1cc2nc(-c3[nH]nc(-c4ccccc4)c3O)[nH]c2cc1F
InChIInChI=1S/C17H10FN5O/c18-11-7-13-12(6-10(11)8-19)20-17(21-13)15-16(24)14(22-23-15)9-4-2-1-3-5-9/h1-7,24H,(H,20,21)(H,22,23)
InChIKeyHVAFURVFQKFWQZ-UHFFFAOYSA-N
XLogP3.34
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-hydroxy-5-phenyl-1H-pyrazol-3-yl)-1H-benzoimidazole-5-carboxamidine
CID 135403661
2-(5-hydroxy-6-phenylpyrimidin-4-yl)-3H-benzimidazole-5-carboximidamide
CID 136110299
3-(1H-imidazo[4,5-c]pyridin-2-yl)-5-phenyl-1H-pyrazol-4-ol
CID 135988780
2-[5-(4-chlorophenyl)-4-hydroxy-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-benzimidazole-5-carboximidamide
CID 135857264
1-Methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol
CID 135857351
CID 135857393
CID 135857393
5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol
CID 135857413
3-[4-(2-Fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
CID 135988626
2-[5-(4-bromophenyl)-4-hydroxy-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-benzimidazole-5-carboximidamide
CID 135988629
5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol
CID 135988639
6-fluoro-2-[4-hydroxy-2-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1H-benzimidazole-5-carbonitrile
CID 135988645
CID 135988647
CID 135988647

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile?
The IUPAC name of 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile (CID 135857312) is 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile?
The canonical SMILES for 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile is N#Cc1cc2nc(-c3[nH]nc(-c4ccccc4)c3O)[nH]c2cc1F.
What is the InChIKey of 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile?
The InChIKey is HVAFURVFQKFWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN5O/c18-11-7-13-12(6-10(11)8-19)20-17(21-13)15-16(24)14(22-23-15)9-4-2-1-3-5-9/h1-7,24H,(H,20,21)(H,22,23).
What are the key properties of 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile?
6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile has a molecular weight of 319.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 135857312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).