
 CHEMBL605141

 64 69  0  0  0  0  0  0  0  0999 V2000
    1.5370    1.4356   -6.7958 C   0  0  0  0  0
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    4.8978   -1.2534   -3.7086 H   0  0  0  0  0
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    7.3034   -4.3130   -3.1184 H   0  0  0  0  0
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   10.4281   -5.2373    2.0036 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL605141

>  <PubChem CID>
25031068

>  <Formula>
C29H30N4O

>  <Molecular Weight>
450.586000

>  <IUPAC Name>
[4-[(2-phenylbenzimidazol-1-yl)methyl]phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCN(C1)C2CCN(C2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=C4C6=CC=CC=C6

>  <Isomeric SMILES>
C1CCN(C1)C2CCN(C2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=C4C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C29H30N4O/c34-29(32-19-16-25(21-32)31-17-6-7-18-31)24-14-12-22(13-15-24)20-33-27-11-5-4-10-26(27)30-28(33)23-8-2-1-3-9-23/h1-5,8-15,25H,6-7,16-21H2

>  <InChI Key>
ADZIWICILUZNFO-UHFFFAOYSA-N

