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

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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).