N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C24H21N5O2 — CID 55825252

About N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 55825252) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
• PubChem CID: 55825252
• Molecular Formula: C24H21N5O2
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.17
• IUPAC Name: N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
• SMILES: O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cccc(CN2CCCC2=O)c1
• InChI: InChI=1S/C24H21N5O2/c30-22-6-2-12-28(22)15-17-4-1-5-19(14-17)23(31)26-20-9-7-18(8-10-20)21-16-29-13-3-11-25-24(29)27-21/h1,3-5,7-11,13-14,16H,2,6,12,15H2,(H,26,31)
• InChIKey: GQYYFBHXGUPORY-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?

The IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 55825252) is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

What is the SMILES notation for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?

The canonical SMILES for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cccc(CN2CCCC2=O)c1.

What is the InChIKey of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?

The InChIKey is GQYYFBHXGUPORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c30-22-6-2-12-28(22)15-17-4-1-5-19(14-17)23(31)26-20-9-7-18(8-10-20)21-16-29-13-3-11-25-24(29)27-21/h1,3-5,7-11,13-14,16H,2,6,12,15H2,(H,26,31).

What are the key properties of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?

N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 411.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 55825252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).