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

C36H32N14O3 — CID 155529918

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
SMILESc1cc2nc(-c3ccc(Cn4cc(COCc5cn(Cc6ccc(-c7nc8ccc(C9=NCCN9)cc8[nH]7)o6)nn5)nn4)o3)[nH]c2cc1C1=NCCN1
InChIInChI=1S/C36H32N14O3/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)
InChIKeyBQWPFAVTNTUACN-UHFFFAOYSA-N
MW708.75 g/mol
LogP3.66
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

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 (PubChem CID 155529918) has the molecular formula C36H32N14O3 and a molecular weight of 708.75 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.

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
PubChem CID155529918
Molecular FormulaC36H32N14O3
Molecular Weight708.75 g/mol
Exact Mass708.28
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
SMILESc1cc2nc(-c3ccc(Cn4cc(COCc5cn(Cc6ccc(-c7nc8ccc(C9=NCCN9)cc8[nH]7)o6)nn5)nn4)o3)[nH]c2cc1C1=NCCN1
InChIInChI=1S/C36H32N14O3/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)
InChIKeyBQWPFAVTNTUACN-UHFFFAOYSA-N
XLogP3.66
TPSA203.07 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.75
LogP ≤ 53.66
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 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?
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 (CID 155529918) 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.
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?
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 is 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?
The InChIKey is BQWPFAVTNTUACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N14O3/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).
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?
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 has a molecular weight of 708.75 g/mol, XLogP of 3.66, 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 is sourced from PubChem (CID 155529918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).