2-[5-[[4-[3-[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole

C31H26N10O2 — CID 155511448

IUPAC2-[5-[[4-[3-[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc(Cn4cc(CCCc5cn(Cc6ccc(-c7nc8ccccc8[nH]7)o6)nn5)nn4)o3)nc2c1
InChIInChI=1S/C31H26N10O2/c1-2-9-25-24(8-1)32-30(33-25)28-14-12-22(42-28)18-40-16-20(36-38-40)6-5-7-21-17-41(39-37-21)19-23-13-15-29(43-23)31-34-26-10-3-4-11-27(26)35-31/h1-4,8-17H,5-7,18-19H2,(H,32,33)(H,34,35)
InChIKeyBENAHFRUEHXCBA-UHFFFAOYSA-N
MW570.62 g/mol
LogP5.41
Rot. Bonds10

About 2-[5-[[4-[3-[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole

2-[5-[[4-[3-[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole (PubChem CID 155511448) has the molecular formula C31H26N10O2 and a molecular weight of 570.62 g/mol. Its IUPAC name is 2-[5-[[4-[3-[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-[[4-[3-[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
PubChem CID155511448
Molecular FormulaC31H26N10O2
Molecular Weight570.62 g/mol
Exact Mass570.22
IUPAC Name2-[5-[[4-[3-[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc(Cn4cc(CCCc5cn(Cc6ccc(-c7nc8ccccc8[nH]7)o6)nn5)nn4)o3)nc2c1
InChIInChI=1S/C31H26N10O2/c1-2-9-25-24(8-1)32-30(33-25)28-14-12-22(42-28)18-40-16-20(36-38-40)6-5-7-21-17-41(39-37-21)19-23-13-15-29(43-23)31-34-26-10-3-4-11-27(26)35-31/h1-4,8-17H,5-7,18-19H2,(H,32,33)(H,34,35)
InChIKeyBENAHFRUEHXCBA-UHFFFAOYSA-N
XLogP5.41
TPSA145.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.62
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[5-[[4-[3-[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole 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 2-[5-[[4-[3-[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[5-[[4-[3-[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole (CID 155511448) is 2-[5-[[4-[3-[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[5-[[4-[3-[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[5-[[4-[3-[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole is c1ccc2[nH]c(-c3ccc(Cn4cc(CCCc5cn(Cc6ccc(-c7nc8ccccc8[nH]7)o6)nn5)nn4)o3)nc2c1.
What is the InChIKey of 2-[5-[[4-[3-[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?
The InChIKey is BENAHFRUEHXCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N10O2/c1-2-9-25-24(8-1)32-30(33-25)28-14-12-22(42-28)18-40-16-20(36-38-40)6-5-7-21-17-41(39-37-21)19-23-13-15-29(43-23)31-34-26-10-3-4-11-27(26)35-31/h1-4,8-17H,5-7,18-19H2,(H,32,33)(H,34,35).
What are the key properties of 2-[5-[[4-[3-[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?
2-[5-[[4-[3-[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole has a molecular weight of 570.62 g/mol, XLogP of 5.41, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-[3-[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 155511448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).