(3,5-dimethylphenyl)-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone

C32H28N4O5S — CID 160588372

About (3,5-dimethylphenyl)-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone

(3,5-dimethylphenyl)-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone (PubChem CID 160588372) has the molecular formula C32H28N4O5S and a molecular weight of 580.67 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

• Compound Name: (3,5-dimethylphenyl)-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone
• PubChem CID: 160588372
• Molecular Formula: C32H28N4O5S
• Molecular Weight: 580.67 g/mol
• Exact Mass: 580.18
• IUPAC Name: (3,5-dimethylphenyl)-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone
• SMILES: COc1cc(OCc2ccc3c(c2)N(C(=O)c2cc(C)cc(C)c2)CC3)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
• InChI: InChI=1S/C32H28N4O5S/c1-18-9-19(2)11-22(10-18)30(37)35-8-7-21-6-5-20(12-26(21)35)17-40-27-13-23(38-3)14-28-24(27)15-29(41-28)25-16-36-31(33-25)42-32(34-36)39-4/h5-6,9-16H,7-8,17H2,1-4H3
• InChIKey: AHKJNLSICJAMGM-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 91.33 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.67
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone?

The IUPAC name of (3,5-dimethylphenyl)-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone (CID 160588372) is (3,5-dimethylphenyl)-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone.

What is the SMILES notation for (3,5-dimethylphenyl)-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone?

The canonical SMILES for (3,5-dimethylphenyl)-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone is COc1cc(OCc2ccc3c(c2)N(C(=O)c2cc(C)cc(C)c2)CC3)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.

What is the InChIKey of (3,5-dimethylphenyl)-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone?

The InChIKey is AHKJNLSICJAMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O5S/c1-18-9-19(2)11-22(10-18)30(37)35-8-7-21-6-5-20(12-26(21)35)17-40-27-13-23(38-3)14-28-24(27)15-29(41-28)25-16-36-31(33-25)42-32(34-36)39-4/h5-6,9-16H,7-8,17H2,1-4H3.

What are the key properties of (3,5-dimethylphenyl)-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone?

(3,5-dimethylphenyl)-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone has a molecular weight of 580.67 g/mol, XLogP of 6.62, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-dimethylphenyl)-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 160588372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).