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

C36H34Cl2N14O3 — CID 155529917

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride
SMILESCl.Cl.c1cc2nc(-c3ccc(Cn4cc(COCc5cn(Cc6ccc(-c7nc8ccc(C9=NCCN9)cc8[nH]7)o6)nn5)nn4)o3)[nH]c2cc1C1=NCCN1
InChIInChI=1S/C36H32N14O3.2ClH/c1-5-27-29(13-21(1)33-37-9-10-38-33)43-35(41-27)31-7-3-25(52-31)17-49-15-23(45-47-49)19-51-20-24-16-50(48-46-24)18-26-4-8-32(53-26)36-42-28-6-2-22(14-30(28)44-36)34-39-11-12-40-34;;/h1-8,13-16H,9-12,17-20H2,(H,37,38)(H,39,40)(H,41,43)(H,42,44);2*1H
InChIKeyURXWJROUQQOCRW-UHFFFAOYSA-N
MW781.67 g/mol
LogP4.50
Rot. Bonds12

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

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride (PubChem CID 155529917) has the molecular formula C36H34Cl2N14O3 and a molecular weight of 781.67 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride
PubChem CID155529917
Molecular FormulaC36H34Cl2N14O3
Molecular Weight781.67 g/mol
Exact Mass780.23
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride
SMILESCl.Cl.c1cc2nc(-c3ccc(Cn4cc(COCc5cn(Cc6ccc(-c7nc8ccc(C9=NCCN9)cc8[nH]7)o6)nn5)nn4)o3)[nH]c2cc1C1=NCCN1
InChIInChI=1S/C36H32N14O3.2ClH/c1-5-27-29(13-21(1)33-37-9-10-38-33)43-35(41-27)31-7-3-25(52-31)17-49-15-23(45-47-49)19-51-20-24-16-50(48-46-24)18-26-4-8-32(53-26)36-42-28-6-2-22(14-30(28)44-36)34-39-11-12-40-34;;/h1-8,13-16H,9-12,17-20H2,(H,37,38)(H,39,40)(H,41,43)(H,42,44);2*1H
InChIKeyURXWJROUQQOCRW-UHFFFAOYSA-N
XLogP4.50
TPSA203.07 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.67
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxymethyl]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-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxymethyl]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-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride (CID 155529917) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxymethyl]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-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxymethyl]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-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride is Cl.Cl.c1cc2nc(-c3ccc(Cn4cc(COCc5cn(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-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride?
The InChIKey is URXWJROUQQOCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N14O3.2ClH/c1-5-27-29(13-21(1)33-37-9-10-38-33)43-35(41-27)31-7-3-25(52-31)17-49-15-23(45-47-49)19-51-20-24-16-50(48-46-24)18-26-4-8-32(53-26)36-42-28-6-2-22(14-30(28)44-36)34-39-11-12-40-34;;/h1-8,13-16H,9-12,17-20H2,(H,37,38)(H,39,40)(H,41,43)(H,42,44);2*1H.
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride has a molecular weight of 781.67 g/mol, XLogP of 4.50, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride is sourced from PubChem (CID 155529917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).