methyl 2-[6-[[7-fluoro-4-(1-methylbenzimidazol-5-yl)oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate

C28H25FN2O5 — CID 123325752

About methyl 2-[6-[[7-fluoro-4-(1-methylbenzimidazol-5-yl)oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate

methyl 2-[6-[[7-fluoro-4-(1-methylbenzimidazol-5-yl)oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate (PubChem CID 123325752) has the molecular formula C28H25FN2O5 and a molecular weight of 488.52 g/mol. Its IUPAC name is methyl 2-[6-[[7-fluoro-4-(1-methylbenzimidazol-5-yl)oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[6-[[7-fluoro-4-(1-methylbenzimidazol-5-yl)oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
• PubChem CID: 123325752
• Molecular Formula: C28H25FN2O5
• Molecular Weight: 488.52 g/mol
• Exact Mass: 488.17
• IUPAC Name: methyl 2-[6-[[7-fluoro-4-(1-methylbenzimidazol-5-yl)oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
• SMILES: COC(=O)CC1COc2cc(OC3CCc4c(Oc5ccc6c(c5)ncn6C)ccc(F)c43)ccc21
• InChI: InChI=1S/C28H25FN2O5/c1-31-15-30-22-12-17(4-8-23(22)31)35-24-10-7-21(29)28-20(24)6-9-25(28)36-18-3-5-19-16(11-27(32)33-2)14-34-26(19)13-18/h3-5,7-8,10,12-13,15-16,25H,6,9,11,14H2,1-2H3
• InChIKey: HPNWSAZWXJPINS-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 71.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.52
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[[7-fluoro-4-(1-methylbenzimidazol-5-yl)oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate?

The IUPAC name of methyl 2-[6-[[7-fluoro-4-(1-methylbenzimidazol-5-yl)oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate (CID 123325752) is methyl 2-[6-[[7-fluoro-4-(1-methylbenzimidazol-5-yl)oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate.

What is the SMILES notation for methyl 2-[6-[[7-fluoro-4-(1-methylbenzimidazol-5-yl)oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate?

The canonical SMILES for methyl 2-[6-[[7-fluoro-4-(1-methylbenzimidazol-5-yl)oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate is COC(=O)CC1COc2cc(OC3CCc4c(Oc5ccc6c(c5)ncn6C)ccc(F)c43)ccc21.

What is the InChIKey of methyl 2-[6-[[7-fluoro-4-(1-methylbenzimidazol-5-yl)oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate?

The InChIKey is HPNWSAZWXJPINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O5/c1-31-15-30-22-12-17(4-8-23(22)31)35-24-10-7-21(29)28-20(24)6-9-25(28)36-18-3-5-19-16(11-27(32)33-2)14-34-26(19)13-18/h3-5,7-8,10,12-13,15-16,25H,6,9,11,14H2,1-2H3.

What are the key properties of methyl 2-[6-[[7-fluoro-4-(1-methylbenzimidazol-5-yl)oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate?

methyl 2-[6-[[7-fluoro-4-(1-methylbenzimidazol-5-yl)oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate has a molecular weight of 488.52 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[6-[[7-fluoro-4-(1-methylbenzimidazol-5-yl)oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate is sourced from PubChem (CID 123325752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).