2-[6-[[7-[6-fluoro-2-(5-methylfuran-2-yl)benzimidazol-1-yl]-2,3-dihydro-1-benzofuran-3-yl]amino]-2,3-dihydro-1-benzofuran-3-yl]-N-oxoacetamide

C30H23FN4O5 — CID 91590727

About 2-[6-[[7-[6-fluoro-2-(5-methylfuran-2-yl)benzimidazol-1-yl]-2,3-dihydro-1-benzofuran-3-yl]amino]-2,3-dihydro-1-benzofuran-3-yl]-N-oxoacetamide

2-[6-[[7-[6-fluoro-2-(5-methylfuran-2-yl)benzimidazol-1-yl]-2,3-dihydro-1-benzofuran-3-yl]amino]-2,3-dihydro-1-benzofuran-3-yl]-N-oxoacetamide (PubChem CID 91590727) has the molecular formula C30H23FN4O5 and a molecular weight of 538.54 g/mol. Its IUPAC name is 2-[6-[[7-[6-fluoro-2-(5-methylfuran-2-yl)benzimidazol-1-yl]-2,3-dihydro-1-benzofuran-3-yl]amino]-2,3-dihydro-1-benzofuran-3-yl]-N-oxoacetamide.

Molecular Properties

• Compound Name: 2-[6-[[7-[6-fluoro-2-(5-methylfuran-2-yl)benzimidazol-1-yl]-2,3-dihydro-1-benzofuran-3-yl]amino]-2,3-dihydro-1-benzofuran-3-yl]-N-oxoacetamide
• PubChem CID: 91590727
• Molecular Formula: C30H23FN4O5
• Molecular Weight: 538.54 g/mol
• Exact Mass: 538.17
• IUPAC Name: 2-[6-[[7-[6-fluoro-2-(5-methylfuran-2-yl)benzimidazol-1-yl]-2,3-dihydro-1-benzofuran-3-yl]amino]-2,3-dihydro-1-benzofuran-3-yl]-N-oxoacetamide
• SMILES: Cc1ccc(-c2nc3ccc(F)cc3n2-c2cccc3c2OCC3Nc2ccc3c(c2)OCC3CC(=O)N=O)o1
• InChI: InChI=1S/C30H23FN4O5/c1-16-5-10-26(40-16)30-33-22-9-6-18(31)12-25(22)35(30)24-4-2-3-21-23(15-39-29(21)24)32-19-7-8-20-17(11-28(36)34-37)14-38-27(20)13-19/h2-10,12-13,17,23,32H,11,14-15H2,1H3
• InChIKey: FNNFWBHYUKJLLS-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 107.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.54
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[7-[6-fluoro-2-(5-methylfuran-2-yl)benzimidazol-1-yl]-2,3-dihydro-1-benzofuran-3-yl]amino]-2,3-dihydro-1-benzofuran-3-yl]-N-oxoacetamide?

The IUPAC name of 2-[6-[[7-[6-fluoro-2-(5-methylfuran-2-yl)benzimidazol-1-yl]-2,3-dihydro-1-benzofuran-3-yl]amino]-2,3-dihydro-1-benzofuran-3-yl]-N-oxoacetamide (CID 91590727) is 2-[6-[[7-[6-fluoro-2-(5-methylfuran-2-yl)benzimidazol-1-yl]-2,3-dihydro-1-benzofuran-3-yl]amino]-2,3-dihydro-1-benzofuran-3-yl]-N-oxoacetamide.

What is the SMILES notation for 2-[6-[[7-[6-fluoro-2-(5-methylfuran-2-yl)benzimidazol-1-yl]-2,3-dihydro-1-benzofuran-3-yl]amino]-2,3-dihydro-1-benzofuran-3-yl]-N-oxoacetamide?

The canonical SMILES for 2-[6-[[7-[6-fluoro-2-(5-methylfuran-2-yl)benzimidazol-1-yl]-2,3-dihydro-1-benzofuran-3-yl]amino]-2,3-dihydro-1-benzofuran-3-yl]-N-oxoacetamide is Cc1ccc(-c2nc3ccc(F)cc3n2-c2cccc3c2OCC3Nc2ccc3c(c2)OCC3CC(=O)N=O)o1.

What is the InChIKey of 2-[6-[[7-[6-fluoro-2-(5-methylfuran-2-yl)benzimidazol-1-yl]-2,3-dihydro-1-benzofuran-3-yl]amino]-2,3-dihydro-1-benzofuran-3-yl]-N-oxoacetamide?

The InChIKey is FNNFWBHYUKJLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23FN4O5/c1-16-5-10-26(40-16)30-33-22-9-6-18(31)12-25(22)35(30)24-4-2-3-21-23(15-39-29(21)24)32-19-7-8-20-17(11-28(36)34-37)14-38-27(20)13-19/h2-10,12-13,17,23,32H,11,14-15H2,1H3.

What are the key properties of 2-[6-[[7-[6-fluoro-2-(5-methylfuran-2-yl)benzimidazol-1-yl]-2,3-dihydro-1-benzofuran-3-yl]amino]-2,3-dihydro-1-benzofuran-3-yl]-N-oxoacetamide?

2-[6-[[7-[6-fluoro-2-(5-methylfuran-2-yl)benzimidazol-1-yl]-2,3-dihydro-1-benzofuran-3-yl]amino]-2,3-dihydro-1-benzofuran-3-yl]-N-oxoacetamide has a molecular weight of 538.54 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[7-[6-fluoro-2-(5-methylfuran-2-yl)benzimidazol-1-yl]-2,3-dihydro-1-benzofuran-3-yl]amino]-2,3-dihydro-1-benzofuran-3-yl]-N-oxoacetamide is sourced from PubChem (CID 91590727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).