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

HCID 12891729
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Basic information

CAS
73736-54-6
Standard SMILES
O=C(OCCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1)N1CCOCC1
InChIKey
XUHUVIQOLLIKDH-UHFFFAOYSA-N
Molecular formula
C26H32FN5O3
Average molar mass
481.6 g/mol
Monoisotopic mass
481.2489181

Names & identifiers

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

Names & synonyms

CHEMBL57913SCHEMBL11480517XUHUVIQOLLIKDH-UHFFFAOYSA-NDTXSID101110829[2-{4-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl}ethyl] 4-morpholinecarboxylate73736-54-62-[4-[[1-[(4-Fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-1-piperidinyl]ethyl 4-morpholinecarboxylate

Database identifiers

CAS
73736-54-6
PubChem CID
12891729
DTXSID
DTXSID101110829
ChEMBL
CHEMBL57913

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
71.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
35

Related reactions

1 records
New reaction record

Compound notes

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