6-fluoro-2-[4-hydroxy-2-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1H-benzimidazole-5-carbonitrile

C19H14FN5O — CID 135988645

IUPAC6-fluoro-2-[4-hydroxy-2-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1H-benzimidazole-5-carbonitrile
SMILESCc1ccc(-c2nn(C)c(-c3nc4cc(C#N)c(F)cc4[nH]3)c2O)cc1
InChIInChI=1S/C19H14FN5O/c1-10-3-5-11(6-4-10)16-18(26)17(25(2)24-16)19-22-14-7-12(9-21)13(20)8-15(14)23-19/h3-8,26H,1-2H3,(H,22,23)
InChIKeyNBLZUFHJOWJXAM-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.66
Rot. Bonds2

About 6-fluoro-2-[4-hydroxy-2-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1H-benzimidazole-5-carbonitrile

6-fluoro-2-[4-hydroxy-2-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1H-benzimidazole-5-carbonitrile (PubChem CID 135988645) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 6-fluoro-2-[4-hydroxy-2-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name6-fluoro-2-[4-hydroxy-2-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1H-benzimidazole-5-carbonitrile
PubChem CID135988645
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name6-fluoro-2-[4-hydroxy-2-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1H-benzimidazole-5-carbonitrile
SMILESCc1ccc(-c2nn(C)c(-c3nc4cc(C#N)c(F)cc4[nH]3)c2O)cc1
InChIInChI=1S/C19H14FN5O/c1-10-3-5-11(6-4-10)16-18(26)17(25(2)24-16)19-22-14-7-12(9-21)13(20)8-15(14)23-19/h3-8,26H,1-2H3,(H,22,23)
InChIKeyNBLZUFHJOWJXAM-UHFFFAOYSA-N
XLogP3.66
TPSA90.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-hydroxy-2-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1H-benzimidazole-5-carbonitrile?
The IUPAC name of 6-fluoro-2-[4-hydroxy-2-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1H-benzimidazole-5-carbonitrile (CID 135988645) is 6-fluoro-2-[4-hydroxy-2-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 6-fluoro-2-[4-hydroxy-2-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1H-benzimidazole-5-carbonitrile?
The canonical SMILES for 6-fluoro-2-[4-hydroxy-2-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1H-benzimidazole-5-carbonitrile is Cc1ccc(-c2nn(C)c(-c3nc4cc(C#N)c(F)cc4[nH]3)c2O)cc1.
What is the InChIKey of 6-fluoro-2-[4-hydroxy-2-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1H-benzimidazole-5-carbonitrile?
The InChIKey is NBLZUFHJOWJXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c1-10-3-5-11(6-4-10)16-18(26)17(25(2)24-16)19-22-14-7-12(9-21)13(20)8-15(14)23-19/h3-8,26H,1-2H3,(H,22,23).
What are the key properties of 6-fluoro-2-[4-hydroxy-2-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1H-benzimidazole-5-carbonitrile?
6-fluoro-2-[4-hydroxy-2-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1H-benzimidazole-5-carbonitrile has a molecular weight of 347.35 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-hydroxy-2-methyl-5-(4-methylphenyl)pyrazol-3-yl]-1H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 135988645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).