6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[3-[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride

C37H36Cl2N14O2 — CID 155561922

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[3-[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride
SMILESCl.Cl.c1cc2nc(-c3ccc(Cn4cc(CCCc5cn(Cc6ccc(-c7nc8ccc(C9=NCCN9)cc8[nH]7)o6)nn5)nn4)o3)[nH]c2cc1C1=NCCN1
InChIInChI=1S/C37H34N14O2.2ClH/c1(2-24-18-50(48-46-24)20-26-6-10-32(52-26)36-42-28-8-4-22(16-30(28)44-36)34-38-12-13-39-34)3-25-19-51(49-47-25)21-27-7-11-33(53-27)37-43-29-9-5-23(17-31(29)45-37)35-40-14-15-41-35;;/h4-11,16-19H,1-3,12-15,20-21H2,(H,38,39)(H,40,41)(H,42,44)(H,43,45);2*1H
InChIKeyZIQNMXOXVVMZHK-UHFFFAOYSA-N
MW779.70 g/mol
LogP4.96
Rot. Bonds12

About 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[3-[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[3-[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride (PubChem CID 155561922) has the molecular formula C37H36Cl2N14O2 and a molecular weight of 779.70 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[3-[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[3-[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride
PubChem CID155561922
Molecular FormulaC37H36Cl2N14O2
Molecular Weight779.70 g/mol
Exact Mass778.25
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[3-[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride
SMILESCl.Cl.c1cc2nc(-c3ccc(Cn4cc(CCCc5cn(Cc6ccc(-c7nc8ccc(C9=NCCN9)cc8[nH]7)o6)nn5)nn4)o3)[nH]c2cc1C1=NCCN1
InChIInChI=1S/C37H34N14O2.2ClH/c1(2-24-18-50(48-46-24)20-26-6-10-32(52-26)36-42-28-8-4-22(16-30(28)44-36)34-38-12-13-39-34)3-25-19-51(49-47-25)21-27-7-11-33(53-27)37-43-29-9-5-23(17-31(29)45-37)35-40-14-15-41-35;;/h4-11,16-19H,1-3,12-15,20-21H2,(H,38,39)(H,40,41)(H,42,44)(H,43,45);2*1H
InChIKeyZIQNMXOXVVMZHK-UHFFFAOYSA-N
XLogP4.96
TPSA193.84 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.70
LogP ≤ 54.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[3-[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[3-[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]propyl]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-[3-[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride (CID 155561922) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[3-[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]propyl]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-[3-[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]propyl]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-[3-[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride is Cl.Cl.c1cc2nc(-c3ccc(Cn4cc(CCCc5cn(Cc6ccc(-c7nc8ccc(C9=NCCN9)cc8[nH]7)o6)nn5)nn4)o3)[nH]c2cc1C1=NCCN1.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[3-[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride?
The InChIKey is ZIQNMXOXVVMZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N14O2.2ClH/c1(2-24-18-50(48-46-24)20-26-6-10-32(52-26)36-42-28-8-4-22(16-30(28)44-36)34-38-12-13-39-34)3-25-19-51(49-47-25)21-27-7-11-33(53-27)37-43-29-9-5-23(17-31(29)45-37)35-40-14-15-41-35;;/h4-11,16-19H,1-3,12-15,20-21H2,(H,38,39)(H,40,41)(H,42,44)(H,43,45);2*1H.
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[3-[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[3-[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride has a molecular weight of 779.70 g/mol, XLogP of 4.96, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[3-[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride is sourced from PubChem (CID 155561922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).