N'-propan-2-yl-2-[5-[[4-[[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride

C44H46Cl2N14O4 — CID 155548507

About N'-propan-2-yl-2-[5-[[4-[[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride

N'-propan-2-yl-2-[5-[[4-[[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride (PubChem CID 155548507) has the molecular formula C44H46Cl2N14O4 and a molecular weight of 905.85 g/mol. Its IUPAC name is N'-propan-2-yl-2-[5-[[4-[[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride.

Molecular Properties

• Compound Name: N'-propan-2-yl-2-[5-[[4-[[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride
• PubChem CID: 155548507
• Molecular Formula: C44H46Cl2N14O4
• Molecular Weight: 905.85 g/mol
• Exact Mass: 904.32
• IUPAC Name: N'-propan-2-yl-2-[5-[[4-[[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride
• SMILES: CC(C)/N=C(\N)c1ccc2nc(-c3ccc(Cn4cc(COc5ccc(OCc6cn(Cc7ccc(-c8nc9ccc(/C(N)=N/C(C)C)cc9[nH]8)o7)nn6)cc5)nn4)o3)[nH]c2c1.Cl.Cl
• InChI: InChI=1S/C44H44N14O4.2ClH/c1-25(2)47-41(45)27-5-13-35-37(17-27)51-43(49-35)39-15-11-33(61-39)21-57-19-29(53-55-57)23-59-31-7-9-32(10-8-31)60-24-30-20-58(56-54-30)22-34-12-16-40(62-34)44-50-36-14-6-28(18-38(36)52-44)42(46)48-26(3)4;;/h5-20,25-26H,21-24H2,1-4H3,(H2,45,47)(H2,46,48)(H,49,51)(H,50,52);2*1H
• InChIKey: ZRYCBQDINHUDKN-UHFFFAOYSA-N
• XLogP: 7.47
• TPSA: 240.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	905.85
LogP ≤ 5	7.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-2-[5-[[4-[[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride?

The IUPAC name of N'-propan-2-yl-2-[5-[[4-[[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride (CID 155548507) is N'-propan-2-yl-2-[5-[[4-[[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride.

What is the SMILES notation for N'-propan-2-yl-2-[5-[[4-[[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride?

The canonical SMILES for N'-propan-2-yl-2-[5-[[4-[[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride is CC(C)/N=C(\N)c1ccc2nc(-c3ccc(Cn4cc(COc5ccc(OCc6cn(Cc7ccc(-c8nc9ccc(/C(N)=N/C(C)C)cc9[nH]8)o7)nn6)cc5)nn4)o3)[nH]c2c1.Cl.Cl.

What is the InChIKey of N'-propan-2-yl-2-[5-[[4-[[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride?

The InChIKey is ZRYCBQDINHUDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N14O4.2ClH/c1-25(2)47-41(45)27-5-13-35-37(17-27)51-43(49-35)39-15-11-33(61-39)21-57-19-29(53-55-57)23-59-31-7-9-32(10-8-31)60-24-30-20-58(56-54-30)22-34-12-16-40(62-34)44-50-36-14-6-28(18-38(36)52-44)42(46)48-26(3)4;;/h5-20,25-26H,21-24H2,1-4H3,(H2,45,47)(H2,46,48)(H,49,51)(H,50,52);2*1H.

What are the key properties of N'-propan-2-yl-2-[5-[[4-[[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride?

N'-propan-2-yl-2-[5-[[4-[[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride has a molecular weight of 905.85 g/mol, XLogP of 7.47, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N'-propan-2-yl-2-[5-[[4-[[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride is sourced from PubChem (CID 155548507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).