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

C48H42Cl2N14O4 — CID 155568584

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride
SMILESCl.Cl.c1cc(-c2ccc(OCc3cn(Cc4ccc(-c5nc6ccc(C7=NCCN7)cc6[nH]5)o4)nn3)cc2)ccc1OCc1cn(Cc2ccc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)o2)nn1
InChIInChI=1S/C48H40N14O4.2ClH/c1-7-35(63-27-33-23-61(59-57-33)25-37-11-15-43(65-37)47-53-39-13-5-31(21-41(39)55-47)45-49-17-18-50-45)8-2-29(1)30-3-9-36(10-4-30)64-28-34-24-62(60-58-34)26-38-12-16-44(66-38)48-54-40-14-6-32(22-42(40)56-48)46-51-19-20-52-46;;/h1-16,21-24H,17-20,25-28H2,(H,49,50)(H,51,52)(H,53,55)(H,54,56);2*1H
InChIKeyOVXOLLWZOPOFJD-UHFFFAOYSA-N
MW949.86 g/mol
LogP7.61
Rot. Bonds15

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

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride (PubChem CID 155568584) has the molecular formula C48H42Cl2N14O4 and a molecular weight of 949.86 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]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-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride
PubChem CID155568584
Molecular FormulaC48H42Cl2N14O4
Molecular Weight949.86 g/mol
Exact Mass948.29
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride
SMILESCl.Cl.c1cc(-c2ccc(OCc3cn(Cc4ccc(-c5nc6ccc(C7=NCCN7)cc6[nH]5)o4)nn3)cc2)ccc1OCc1cn(Cc2ccc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)o2)nn1
InChIInChI=1S/C48H40N14O4.2ClH/c1-7-35(63-27-33-23-61(59-57-33)25-37-11-15-43(65-37)47-53-39-13-5-31(21-41(39)55-47)45-49-17-18-50-45)8-2-29(1)30-3-9-36(10-4-30)64-28-34-24-62(60-58-34)26-38-12-16-44(66-38)48-54-40-14-6-32(22-42(40)56-48)46-51-19-20-52-46;;/h1-16,21-24H,17-20,25-28H2,(H,49,50)(H,51,52)(H,53,55)(H,54,56);2*1H
InChIKeyOVXOLLWZOPOFJD-UHFFFAOYSA-N
XLogP7.61
TPSA212.30 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500949.86
LogP ≤ 57.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]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-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]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-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride (CID 155568584) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]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-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]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-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride is Cl.Cl.c1cc(-c2ccc(OCc3cn(Cc4ccc(-c5nc6ccc(C7=NCCN7)cc6[nH]5)o4)nn3)cc2)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-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride?
The InChIKey is OVXOLLWZOPOFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N14O4.2ClH/c1-7-35(63-27-33-23-61(59-57-33)25-37-11-15-43(65-37)47-53-39-13-5-31(21-41(39)55-47)45-49-17-18-50-45)8-2-29(1)30-3-9-36(10-4-30)64-28-34-24-62(60-58-34)26-38-12-16-44(66-38)48-54-40-14-6-32(22-42(40)56-48)46-51-19-20-52-46;;/h1-16,21-24H,17-20,25-28H2,(H,49,50)(H,51,52)(H,53,55)(H,54,56);2*1H.
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride has a molecular weight of 949.86 g/mol, XLogP of 7.61, 15 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-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride is sourced from PubChem (CID 155568584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).