N-Methyl-N-(4-(4(1-(2-(fur-2-ylmethoxy)ethyl)-1H-benzimidazole-2-carbonyl)piperidin-1-yl)-2-phenylbutyl)benzamide (HCID 21697459)

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Basic information

Standard SMILES: CN(CC(CCN1CCC(C(=O)c2nc3ccccc3n2CCOCc2ccco2)CC1)c1ccccc1)C(=O)c1ccccc1
InChIKey: GITKOXKXOMJMHK-UHFFFAOYSA-N
Molecular formula: C38H42N4O4
Average molar mass: 618.8 g/mol
Monoisotopic mass: 618.32060583

Names & identifiers

Preferred name: N-Methyl-N-(4-(4(1-(2-(fur-2-ylmethoxy)ethyl)-1H-benzimidazole-2-carbonyl)piperidin-1-yl)-2-phenylbutyl)benzamide
IUPAC: N-[4-[4-[1-[2-(furan-2-ylmethoxy)ethyl]benzimidazole-2-carbonyl]piperidin-1-yl]-2-phenylbutyl]-N-methylbenzamide

Names & synonyms

SCHEMBL7473860GITKOXKXOMJMHK-UHFFFAOYSA-NN-Methyl-N-(4-(4(1-(2-(fur-2-ylmethoxy)ethyl)-1H-benzimidazole-2-carbonyl )piperidin-1-yl)-2-phenylbutyl)benzamide

Database identifiers

PubChem CID: 21697459

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 80.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 14
Heavy atoms: 46
Formal charge: 0
Complexity: 945

Related reactions

2 records

New reaction record

HRID 121166As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 379464As productuspto-grants-2001_10

Compound notes

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