(7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone

C22H27N3O3 — CID 52992563

About (7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone

(7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 52992563) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
• PubChem CID: 52992563
• Molecular Formula: C22H27N3O3
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.21
• IUPAC Name: (7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
• SMILES: COc1cccc2cc(C(=O)N3CCC(Cn4ccnc4C(C)C)CC3)oc12
• InChI: InChI=1S/C22H27N3O3/c1-15(2)21-23-9-12-25(21)14-16-7-10-24(11-8-16)22(26)19-13-17-5-4-6-18(27-3)20(17)28-19/h4-6,9,12-13,15-16H,7-8,10-11,14H2,1-3H3
• InChIKey: GHGYLLZNHZVCOA-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 60.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?

The IUPAC name of (7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone (CID 52992563) is (7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

What is the SMILES notation for (7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?

The canonical SMILES for (7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone is COc1cccc2cc(C(=O)N3CCC(Cn4ccnc4C(C)C)CC3)oc12.

What is the InChIKey of (7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?

The InChIKey is GHGYLLZNHZVCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15(2)21-23-9-12-25(21)14-16-7-10-24(11-8-16)22(26)19-13-17-5-4-6-18(27-3)20(17)28-19/h4-6,9,12-13,15-16H,7-8,10-11,14H2,1-3H3.

What are the key properties of (7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?

(7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 52992563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).