
 CHEMBL1222719

 76 80  0  0  0  0  0  0  0  0999 V2000
    3.8176    8.0293   -0.9352 C   0  0  0  0  0
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    7.0999    7.0250   -1.3598 H   0  0  0  0  0
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   14.2955    0.9205   -3.5909 H   0  0  0  0  0
   13.2147    1.1271   -2.2570 H   0  0  0  0  0
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   12.2180    1.1034   -6.0634 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1222719

>  <PubChem CID>
49864938

>  <Formula>
C29H39N5O3

>  <Molecular Weight>
505.663000

>  <IUPAC Name>
1-(2-propan-2-yloxyethyl)-3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)OCCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)C(=O)C4CCN(CC4)CC5=CC=NC=C5

>  <Isomeric SMILES>
CC(C)OCCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)C(=O)C4CCN(CC4)CC5=CC=NC=C5

>  <InChI Std. ID>
InChI=1S/C29H39N5O3/c1-22(2)37-20-19-33-26-5-3-4-6-27(26)34(29(33)36)25-11-17-32(18-12-25)28(35)24-9-15-31(16-10-24)21-23-7-13-30-14-8-23/h3-8,13-14,22,24-25H,9-12,15-21H2,1-2H3

>  <InChI Key>
CORLLIXOPXNVDA-UHFFFAOYSA-N

