4-(2-amino-7-pyrazol-1-yl-3H-benzimidazol-5-yl)-1-benzylpyridin-2-one

C22H18N6O — CID 70995477

IUPAC4-(2-amino-7-pyrazol-1-yl-3H-benzimidazol-5-yl)-1-benzylpyridin-2-one
SMILESNc1nc2c(-n3cccn3)cc(-c3ccn(Cc4ccccc4)c(=O)c3)cc2[nH]1
InChIInChI=1S/C22H18N6O/c23-22-25-18-11-17(12-19(21(18)26-22)28-9-4-8-24-28)16-7-10-27(20(29)13-16)14-15-5-2-1-3-6-15/h1-13H,14H2,(H3,23,25,26)
InChIKeyGBUOSOZCIFDKJV-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.21
Rot. Bonds4

About 4-(2-amino-7-pyrazol-1-yl-3H-benzimidazol-5-yl)-1-benzylpyridin-2-one

4-(2-amino-7-pyrazol-1-yl-3H-benzimidazol-5-yl)-1-benzylpyridin-2-one (PubChem CID 70995477) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 4-(2-amino-7-pyrazol-1-yl-3H-benzimidazol-5-yl)-1-benzylpyridin-2-one.

Molecular Properties

Compound Name4-(2-amino-7-pyrazol-1-yl-3H-benzimidazol-5-yl)-1-benzylpyridin-2-one
PubChem CID70995477
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name4-(2-amino-7-pyrazol-1-yl-3H-benzimidazol-5-yl)-1-benzylpyridin-2-one
SMILESNc1nc2c(-n3cccn3)cc(-c3ccn(Cc4ccccc4)c(=O)c3)cc2[nH]1
InChIInChI=1S/C22H18N6O/c23-22-25-18-11-17(12-19(21(18)26-22)28-9-4-8-24-28)16-7-10-27(20(29)13-16)14-15-5-2-1-3-6-15/h1-13H,14H2,(H3,23,25,26)
InChIKeyGBUOSOZCIFDKJV-UHFFFAOYSA-N
XLogP3.21
TPSA94.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-7-pyrazol-1-yl-3H-benzimidazol-5-yl)-1-benzylpyridin-2-one?
The IUPAC name of 4-(2-amino-7-pyrazol-1-yl-3H-benzimidazol-5-yl)-1-benzylpyridin-2-one (CID 70995477) is 4-(2-amino-7-pyrazol-1-yl-3H-benzimidazol-5-yl)-1-benzylpyridin-2-one.
What is the SMILES notation for 4-(2-amino-7-pyrazol-1-yl-3H-benzimidazol-5-yl)-1-benzylpyridin-2-one?
The canonical SMILES for 4-(2-amino-7-pyrazol-1-yl-3H-benzimidazol-5-yl)-1-benzylpyridin-2-one is Nc1nc2c(-n3cccn3)cc(-c3ccn(Cc4ccccc4)c(=O)c3)cc2[nH]1.
What is the InChIKey of 4-(2-amino-7-pyrazol-1-yl-3H-benzimidazol-5-yl)-1-benzylpyridin-2-one?
The InChIKey is GBUOSOZCIFDKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c23-22-25-18-11-17(12-19(21(18)26-22)28-9-4-8-24-28)16-7-10-27(20(29)13-16)14-15-5-2-1-3-6-15/h1-13H,14H2,(H3,23,25,26).
What are the key properties of 4-(2-amino-7-pyrazol-1-yl-3H-benzimidazol-5-yl)-1-benzylpyridin-2-one?
4-(2-amino-7-pyrazol-1-yl-3H-benzimidazol-5-yl)-1-benzylpyridin-2-one has a molecular weight of 382.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-7-pyrazol-1-yl-3H-benzimidazol-5-yl)-1-benzylpyridin-2-one is sourced from PubChem (CID 70995477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).