3-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

C28H29N5O4 — CID 55833726

About 3-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

3-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (PubChem CID 55833726) has the molecular formula C28H29N5O4 and a molecular weight of 499.57 g/mol. Its IUPAC name is 3-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

• Compound Name: 3-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
• PubChem CID: 55833726
• Molecular Formula: C28H29N5O4
• Molecular Weight: 499.57 g/mol
• Exact Mass: 499.22
• IUPAC Name: 3-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
• SMILES: CCOc1cc(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)ccc1OCC(=O)N1CCCCC1
• InChI: InChI=1S/C28H29N5O4/c1-2-36-25-17-21(9-12-24(25)37-19-26(34)32-14-4-3-5-15-32)27(35)30-22-10-7-20(8-11-22)23-18-33-16-6-13-29-28(33)31-23/h6-13,16-18H,2-5,14-15,19H2,1H3,(H,30,35)
• InChIKey: VYGYXTOFJCTTLW-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 98.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.57
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?

The IUPAC name of 3-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (CID 55833726) is 3-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.

What is the SMILES notation for 3-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?

The canonical SMILES for 3-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is CCOc1cc(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)ccc1OCC(=O)N1CCCCC1.

What is the InChIKey of 3-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?

The InChIKey is VYGYXTOFJCTTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4/c1-2-36-25-17-21(9-12-24(25)37-19-26(34)32-14-4-3-5-15-32)27(35)30-22-10-7-20(8-11-22)23-18-33-16-6-13-29-28(33)31-23/h6-13,16-18H,2-5,14-15,19H2,1H3,(H,30,35).

What are the key properties of 3-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?

3-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide has a molecular weight of 499.57 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 55833726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).