1-{1-[9-Methyl-8-(1-methyl-1H-pyrazol-4-yl)-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one

HCID 66802461
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Basic information

Standard SMILES
Cn1cc(-c2nc3c(N4CCC(n5c(=O)[nH]c6ccccc65)CC4)ncnc3n2C)cn1
InChIKey
CUNSTLTWXBDRBP-UHFFFAOYSA-N
Molecular formula
C22H23N9O
Average molar mass
429.5 g/mol
Monoisotopic mass
429.20255639

Names & identifiers

Preferred name
1-{1-[9-Methyl-8-(1-methyl-1H-pyrazol-4-yl)-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
IUPAC
3-[1-[9-methyl-8-(1-methylpyrazol-4-yl)purin-6-yl]piperidin-4-yl]-1H-benzimidazol-2-one

Names & synonyms

SCHEMBL794897CUNSTLTWXBDRBP-UHFFFAOYSA-N1-{1-[9-Methyl-8-(1-methyl-1H-pyrazol-4-yl)-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one

Database identifiers

PubChem CID
66802461

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
97 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
32

Related reactions

1 records
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Compound notes

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