Synonyms
956299-56-2;Diethyl ester of (BimC4A)3;DTXSID40746435;ZINC150354166;Triethyl 5,5',5''-[nitrilotris(methylene-1H-benzimidazole-2,1-diyl)]tripentanoate;Triethyl 5,5 inverted exclamation marka,5 inverted exclamation marka inverted exclamation marka-[2,2 inverted exclamation marka,2 inverted exclamation marka inverted exclamation marka-nitrilotris(methylene)tris(1H-benzo[d]imidazole-2,1-diyl)]tripentanoate;TRIETHYL 5,5',5''-[2,2',2''-NITRILOTRIS(METHYLENE)TRIS(1H-BENZO[D]IMIDAZOLE-2,1-DIYL)]TRIPENTANOATE;
IUPAC Name
ethyl 5-[2-[[bis[[1-(5-ethoxy-5-oxopentyl)benzimidazol-2-yl]methyl]amino]methyl]benzimidazol-1-yl]pentanoate;
Molecular Weight
791.994g/mol
Molecular Formula
C45H57N7O6;
Canonical SMILES
CCOC(=O)CCCCN1C2=CC=CC=C2N=C1CN(CC3=NC4=CC=CC=C4N3CCCCC(=O)OCC)CC5=NC6=CC=CC=C6N5CCCCC(=O)OCC;
InChI
InChI=1S/C45H57N7O6/c1-4-56-43(53)25-13-16-28-50-37-22-10-7-19-34(37)46-40(50)31-49(32-41-47-35-20-8-11-23-38(35)51(41)29-17-14-26-44(54)57-5-2)33-42-48-36-21-9-12-24-39(36)52(42)30-18-15-27-45(55)58-6-3/h7-12,19-24H,4-6,13-18,25-33H2,1-3H3;
InChI Key
RWKPMARHPVSMQT-UHFFFAOYSA-N;
Complexity
1110
Covalently-Bonded Unit Count
1
Exact Mass
791.437g/mol
H-Bond Acceptor
10
Heavy Atom Count
58
Monoisotopic Mass
791.437g/mol
Rotatable Bond Count
27
Topological Polar Surface Area
136A^2
