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

C50H50Cl2N14O4 — CID 155567992

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

N'-propan-2-yl-2-[5-[[4-[[4-[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride (PubChem CID 155567992) has the molecular formula C50H50Cl2N14O4 and a molecular weight of 981.95 g/mol. Its IUPAC name is N'-propan-2-yl-2-[5-[[4-[[4-[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]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-[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride
• PubChem CID: 155567992
• Molecular Formula: C50H50Cl2N14O4
• Molecular Weight: 981.95 g/mol
• Exact Mass: 980.35
• IUPAC Name: N'-propan-2-yl-2-[5-[[4-[[4-[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride
• SMILES: CC(C)/N=C(\N)c1ccc2nc(-c3ccc(Cn4cc(COc5ccc(-c6ccc(OCc7cn(Cc8ccc(-c9nc%10ccc(/C(N)=N/C(C)C)cc%10[nH]9)o8)nn7)cc6)cc5)nn4)o3)[nH]c2c1.Cl.Cl
• InChI: InChI=1S/C50H48N14O4.2ClH/c1-29(2)53-47(51)33-9-17-41-43(21-33)57-49(55-41)45-19-15-39(67-45)25-63-23-35(59-61-63)27-65-37-11-5-31(6-12-37)32-7-13-38(14-8-32)66-28-36-24-64(62-60-36)26-40-16-20-46(68-40)50-56-42-18-10-34(22-44(42)58-50)48(52)54-30(3)4;;/h5-24,29-30H,25-28H2,1-4H3,(H2,51,53)(H2,52,54)(H,55,57)(H,56,58);2*1H
• InChIKey: KVNGNQLIPQVRMM-UHFFFAOYSA-N
• XLogP: 9.13
• TPSA: 240.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	981.95
LogP ≤ 5	9.13
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-[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]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-[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride (CID 155567992) is N'-propan-2-yl-2-[5-[[4-[[4-[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]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-[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]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-[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride is CC(C)/N=C(\N)c1ccc2nc(-c3ccc(Cn4cc(COc5ccc(-c6ccc(OCc7cn(Cc8ccc(-c9nc%10ccc(/C(N)=N/C(C)C)cc%10[nH]9)o8)nn7)cc6)cc5)nn4)o3)[nH]c2c1.Cl.Cl.

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

The InChIKey is KVNGNQLIPQVRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H48N14O4.2ClH/c1-29(2)53-47(51)33-9-17-41-43(21-33)57-49(55-41)45-19-15-39(67-45)25-63-23-35(59-61-63)27-65-37-11-5-31(6-12-37)32-7-13-38(14-8-32)66-28-36-24-64(62-60-36)26-40-16-20-46(68-40)50-56-42-18-10-34(22-44(42)58-50)48(52)54-30(3)4;;/h5-24,29-30H,25-28H2,1-4H3,(H2,51,53)(H2,52,54)(H,55,57)(H,56,58);2*1H.

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

N'-propan-2-yl-2-[5-[[4-[[4-[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride has a molecular weight of 981.95 g/mol, XLogP of 9.13, 17 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-[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride is sourced from PubChem (CID 155567992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).