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6-fluoro-2-[5-[[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole

C30H22F2N10O3 — CID 155517770

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-fluoro-2-[5-[[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
SMILESFc1ccc2nc(-c3ccc(Cn4cc(COCc5cn(Cc6ccc(-c7nc8ccc(F)cc8[nH]7)o6)nn5)nn4)o3)[nH]c2c1
InChIInChI=1S/C30H22F2N10O3/c31-17-1-5-23-25(9-17)35-29(33-23)27-7-3-21(44-27)13-41-11-19(37-39-41)15-43-16-20-12-42(40-38-20)14-22-4-8-28(45-22)30-34-24-6-2-18(32)10-26(24)36-30/h1-12H,13-16H2,(H,33,35)(H,34,36)
InChIKeyWSSVGAUFGGUUCE-UHFFFAOYSA-N
MW608.57 g/mol
LogP5.23
Rot. Bonds10

About 6-fluoro-2-[5-[[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole

6-fluoro-2-[5-[[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole (PubChem CID 155517770) has the molecular formula C30H22F2N10O3 and a molecular weight of 608.57 g/mol. Its IUPAC name is 6-fluoro-2-[5-[[4-[[1-[[5-(6-fluoro-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-fluoro-2-[5-[[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
PubChem CID155517770
Molecular FormulaC30H22F2N10O3
Molecular Weight608.57 g/mol
Exact Mass608.18
IUPAC Name6-fluoro-2-[5-[[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
SMILESFc1ccc2nc(-c3ccc(Cn4cc(COCc5cn(Cc6ccc(-c7nc8ccc(F)cc8[nH]7)o6)nn5)nn4)o3)[nH]c2c1
InChIInChI=1S/C30H22F2N10O3/c31-17-1-5-23-25(9-17)35-29(33-23)27-7-3-21(44-27)13-41-11-19(37-39-41)15-43-16-20-12-42(40-38-20)14-22-4-8-28(45-22)30-34-24-6-2-18(32)10-26(24)36-30/h1-12H,13-16H2,(H,33,35)(H,34,36)
InChIKeyWSSVGAUFGGUUCE-UHFFFAOYSA-N
XLogP5.23
TPSA154.29 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500608.57
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-fluoro-2-[5-[[4-[[1-[[5-(6-fluoro-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-fluoro-2-[5-[[4-[[1-[[5-(6-fluoro-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-fluoro-2-[5-[[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole (CID 155517770) is 6-fluoro-2-[5-[[4-[[1-[[5-(6-fluoro-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-fluoro-2-[5-[[4-[[1-[[5-(6-fluoro-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-fluoro-2-[5-[[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole is Fc1ccc2nc(-c3ccc(Cn4cc(COCc5cn(Cc6ccc(-c7nc8ccc(F)cc8[nH]7)o6)nn5)nn4)o3)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-[5-[[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?
The InChIKey is WSSVGAUFGGUUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F2N10O3/c31-17-1-5-23-25(9-17)35-29(33-23)27-7-3-21(44-27)13-41-11-19(37-39-41)15-43-16-20-12-42(40-38-20)14-22-4-8-28(45-22)30-34-24-6-2-18(32)10-26(24)36-30/h1-12H,13-16H2,(H,33,35)(H,34,36).
What are the key properties of 6-fluoro-2-[5-[[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?
6-fluoro-2-[5-[[4-[[1-[[5-(6-fluoro-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 608.57 g/mol, XLogP of 5.23, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[5-[[4-[[1-[[5-(6-fluoro-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 155517770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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