N-Methyl-N-(4-(4-(1-(2-(3.3-dimethylallyloxy)ethyl)-1H-benzimidazole-2-carbonyl)piperidin-1-yl)-2-phenylbutyl)benzamide

HCID 21697367
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Basic information

Standard SMILES
CC(C)=CCOCCn1c(C(=O)C2CCN(CCC(CN(C)C(=O)c3ccccc3)c3ccccc3)CC2)nc2ccccc21
InChIKey
QTYUWGOJHYMKNG-UHFFFAOYSA-N
Molecular formula
C38H46N4O3
Average molar mass
606.8 g/mol
Monoisotopic mass
606.35699134

Names & identifiers

Preferred name
N-Methyl-N-(4-(4-(1-(2-(3.3-dimethylallyloxy)ethyl)-1H-benzimidazole-2-carbonyl)piperidin-1-yl)-2-phenylbutyl)benzamide
IUPAC
N-methyl-N-[4-[4-[1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole-2-carbonyl]piperidin-1-yl]-2-phenylbutyl]benzamide

Names & synonyms

SCHEMBL7467402QTYUWGOJHYMKNG-UHFFFAOYSA-NN-Methyl-N-(4-(4-(1-(2-(3.3-dimethylallyloxy)ethyl)-1H-benzimidazole-2-carbonyl)piperidin-1-yl)-2-phenylbutyl)benzamide

Database identifiers

PubChem CID
21697367

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
67.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
14
Heavy atoms
45

Related reactions

1 records
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Compound notes

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