6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride

C42H38Cl2N14O4 — CID 155554457

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride
SMILESCl.Cl.c1cc(OCc2cn(Cc3ccc(-c4nc5ccc(C6=NCCN6)cc5[nH]4)o3)nn2)ccc1OCc1cn(Cc2ccc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)o2)nn1
InChIInChI=1S/C42H36N14O4.2ClH/c1-9-33-35(17-25(1)39-43-13-14-44-39)49-41(47-33)37-11-7-31(59-37)21-55-19-27(51-53-55)23-57-29-3-5-30(6-4-29)58-24-28-20-56(54-52-28)22-32-8-12-38(60-32)42-48-34-10-2-26(18-36(34)50-42)40-45-15-16-46-40;;/h1-12,17-20H,13-16,21-24H2,(H,43,44)(H,45,46)(H,47,49)(H,48,50);2*1H
InChIKeyKDRIPVCOOYTSPM-UHFFFAOYSA-N
MW873.77 g/mol
LogP5.94
Rot. Bonds14

About 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride (PubChem CID 155554457) has the molecular formula C42H38Cl2N14O4 and a molecular weight of 873.77 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride
PubChem CID155554457
Molecular FormulaC42H38Cl2N14O4
Molecular Weight873.77 g/mol
Exact Mass872.26
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride
SMILESCl.Cl.c1cc(OCc2cn(Cc3ccc(-c4nc5ccc(C6=NCCN6)cc5[nH]4)o3)nn2)ccc1OCc1cn(Cc2ccc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)o2)nn1
InChIInChI=1S/C42H36N14O4.2ClH/c1-9-33-35(17-25(1)39-43-13-14-44-39)49-41(47-33)37-11-7-31(59-37)21-55-19-27(51-53-55)23-57-29-3-5-30(6-4-29)58-24-28-20-56(54-52-28)22-32-8-12-38(60-32)42-48-34-10-2-26(18-36(34)50-42)40-45-15-16-46-40;;/h1-12,17-20H,13-16,21-24H2,(H,43,44)(H,45,46)(H,47,49)(H,48,50);2*1H
InChIKeyKDRIPVCOOYTSPM-UHFFFAOYSA-N
XLogP5.94
TPSA212.30 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500873.77
LogP ≤ 55.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride (CID 155554457) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride is Cl.Cl.c1cc(OCc2cn(Cc3ccc(-c4nc5ccc(C6=NCCN6)cc5[nH]4)o3)nn2)ccc1OCc1cn(Cc2ccc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)o2)nn1.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride?
The InChIKey is KDRIPVCOOYTSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N14O4.2ClH/c1-9-33-35(17-25(1)39-43-13-14-44-39)49-41(47-33)37-11-7-31(59-37)21-55-19-27(51-53-55)23-57-29-3-5-30(6-4-29)58-24-28-20-56(54-52-28)22-32-8-12-38(60-32)42-48-34-10-2-26(18-36(34)50-42)40-45-15-16-46-40;;/h1-12,17-20H,13-16,21-24H2,(H,43,44)(H,45,46)(H,47,49)(H,48,50);2*1H.
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride has a molecular weight of 873.77 g/mol, XLogP of 5.94, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride is sourced from PubChem (CID 155554457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).