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SummaryGeometryRelated PDB entries

DBN

Summary
Name:6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE
Synonyms:DB819
Formula:C23 H20 N6 S
Formal charge:0
Formula weight:412.51 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-(4,5-dihydro-1H-imidazol-2-yl)-2-{5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]thiophen-2-yl}-1H-benzimidazole
OpenEye OEToolkits1.5.06-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]thiophen-2-yl]-1H-benzimidazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n3c2c(cc(C1=NCCN1)cc2)nc3c4sc(cc4)c6ccc(C5=NCCN5)cc6
SMILES_CANONICALCACTVS3.341C1CN=C(N1)c2ccc(cc2)c3sc(cc3)c4[nH]c5cc(ccc5n4)C6=NCCN6
SMILESCACTVS3.341C1CN=C(N1)c2ccc(cc2)c3sc(cc3)c4[nH]c5cc(ccc5n4)C6=NCCN6
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1c2ccc(s2)c3[nH]c4cc(ccc4n3)C5=NCCN5)C6=NCCN6
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1c2ccc(s2)c3[nH]c4cc(ccc4n3)C5=NCCN5)C6=NCCN6
InChIInChI1.03InChI=1S/C23H20N6S/c1-3-15(21-24-9-10-25-21)4-2-14(1)19-7-8-20(30-19)23-28-17-6-5-16(13-18(17)29-23)22-26-11-12-27-22/h1-8,13H,9-12H2,(H,24,25)(H,26,27)(H,28,29)
InChIKeyInChI1.03KPAUDMFCLSTUBG-UHFFFAOYSA-N

224931

PDB entries from 2024-09-11

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