[2-{4-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl}ethyl] 4-methoxybenzoate

HCID 12891731
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Basic information

Standard SMILES
COc1ccc(C(=O)OCCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1
InChIKey
JUMZPZOSZBGRGN-UHFFFAOYSA-N
Molecular formula
C29H31FN4O3
Average molar mass
502.6 g/mol

Names & identifiers

Preferred name
[2-{4-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl}ethyl] 4-methoxybenzoate
IUPAC
2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl 4-methoxybenzoate

Names & synonyms

CHEMBL1189915SCHEMBL11470277JUMZPZOSZBGRGN-UHFFFAOYSA-N[2-{4-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl}ethyl] 4-methoxybenzoate

Database identifiers

PubChem CID
12891731
ChEMBL
CHEMBL1189915

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
68.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
37

Related reactions

2 records
New reaction record

Compound notes

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