2-(1-((2-(2-(2-hydroxyethyl)-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol

HCID 59605786

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cn1c(CN2CCC(C(C)(C)O)CC2)nc2c(N3CCOCC3)nc(-n3c(CCO)nc4ccccc43)nc21
InChIKey: WYKJXYWLUNNWOL-UHFFFAOYSA-N
Molecular formula: C28H38N8O3
Average molar mass: 534.7 g/mol
Monoisotopic mass: 534.3066871

Names & identifiers

Preferred name: 2-(1-((2-(2-(2-hydroxyethyl)-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol
IUPAC: 2-[1-[[2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]propan-2-ol

Names & synonyms

SCHEMBL2673859WYKJXYWLUNNWOL-UHFFFAOYSA-N2-(1-((2-(2-(2-hydroxyethyl)-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol

Database identifiers

PubChem CID: 59605786

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 118 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 7
Heavy atoms: 39
Formal charge: 0
Complexity: 808

Related reactions

3 records

New reaction record

HRID 126242As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1922977As productuspto-grants-2012_05

HRID 1945794As productuspto-grants-2013_03

Compound notes

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