2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide

C26H27N3O4 — CID 25405936

About 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 25405936) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
• PubChem CID: 25405936
• Molecular Formula: C26H27N3O4
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.20
• IUPAC Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
• SMILES: COc1cc(OC)cc([C@H](NC(=O)Cc2coc3cc4c(cc23)CCC4)c2nccn2C)c1
• InChI: InChI=1S/C26H27N3O4/c1-29-8-7-27-26(29)25(18-9-20(31-2)14-21(10-18)32-3)28-24(30)13-19-15-33-23-12-17-6-4-5-16(17)11-22(19)23/h7-12,14-15,25H,4-6,13H2,1-3H3,(H,28,30)/t25-/m0/s1
• InChIKey: BDIHPZOZKYPTLV-VWLOTQADSA-N
• XLogP: 4.12
• TPSA: 78.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?

The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide (CID 25405936) is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?

The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide is COc1cc(OC)cc([C@H](NC(=O)Cc2coc3cc4c(cc23)CCC4)c2nccn2C)c1.

What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?

The InChIKey is BDIHPZOZKYPTLV-VWLOTQADSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-29-8-7-27-26(29)25(18-9-20(31-2)14-21(10-18)32-3)28-24(30)13-19-15-33-23-12-17-6-4-5-16(17)11-22(19)23/h7-12,14-15,25H,4-6,13H2,1-3H3,(H,28,30)/t25-/m0/s1.

What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 445.52 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 25405936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).