2-[5-[[4-[[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole

C30H24N10O3 — CID 155566418

IUPAC2-[5-[[4-[[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc(Cn4cc(COCc5cn(Cc6ccc(-c7nc8ccccc8[nH]7)o6)nn5)nn4)o3)nc2c1
InChIInChI=1S/C30H24N10O3/c1-2-6-24-23(5-1)31-29(32-24)27-11-9-21(42-27)15-39-13-19(35-37-39)17-41-18-20-14-40(38-36-20)16-22-10-12-28(43-22)30-33-25-7-3-4-8-26(25)34-30/h1-14H,15-18H2,(H,31,32)(H,33,34)
InChIKeyQGLVDVIBNIONJM-UHFFFAOYSA-N
MW572.59 g/mol
LogP4.96
Rot. Bonds10

About 2-[5-[[4-[[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole

2-[5-[[4-[[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole (PubChem CID 155566418) has the molecular formula C30H24N10O3 and a molecular weight of 572.59 g/mol. Its IUPAC name is 2-[5-[[4-[[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-[[4-[[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
PubChem CID155566418
Molecular FormulaC30H24N10O3
Molecular Weight572.59 g/mol
Exact Mass572.20
IUPAC Name2-[5-[[4-[[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc(Cn4cc(COCc5cn(Cc6ccc(-c7nc8ccccc8[nH]7)o6)nn5)nn4)o3)nc2c1
InChIInChI=1S/C30H24N10O3/c1-2-6-24-23(5-1)31-29(32-24)27-11-9-21(42-27)15-39-13-19(35-37-39)17-41-18-20-14-40(38-36-20)16-22-10-12-28(43-22)30-33-25-7-3-4-8-26(25)34-30/h1-14H,15-18H2,(H,31,32)(H,33,34)
InChIKeyQGLVDVIBNIONJM-UHFFFAOYSA-N
XLogP4.96
TPSA154.29 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.59
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[5-[[4-[[1-[[5-(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 2-[5-[[4-[[1-[[5-(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 2-[5-[[4-[[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole (CID 155566418) is 2-[5-[[4-[[1-[[5-(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 2-[5-[[4-[[1-[[5-(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 2-[5-[[4-[[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole is c1ccc2[nH]c(-c3ccc(Cn4cc(COCc5cn(Cc6ccc(-c7nc8ccccc8[nH]7)o6)nn5)nn4)o3)nc2c1.
What is the InChIKey of 2-[5-[[4-[[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?
The InChIKey is QGLVDVIBNIONJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N10O3/c1-2-6-24-23(5-1)31-29(32-24)27-11-9-21(42-27)15-39-13-19(35-37-39)17-41-18-20-14-40(38-36-20)16-22-10-12-28(43-22)30-33-25-7-3-4-8-26(25)34-30/h1-14H,15-18H2,(H,31,32)(H,33,34).
What are the key properties of 2-[5-[[4-[[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?
2-[5-[[4-[[1-[[5-(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 572.59 g/mol, XLogP of 4.96, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-[[1-[[5-(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 155566418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).