4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide

C24H24N4O — CID 7080310

About 4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide

4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide (PubChem CID 7080310) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
• PubChem CID: 7080310
• Molecular Formula: C24H24N4O
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.20
• IUPAC Name: 4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
• SMILES: Cc1c(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)nc2ncccn12
• InChI: InChI=1S/C24H24N4O/c1-16-21(27-23-25-13-6-14-28(16)23)18-7-5-8-20(15-18)26-22(29)17-9-11-19(12-10-17)24(2,3)4/h5-15H,1-4H3,(H,26,29)
• InChIKey: FBQOGSBHGCSHRI-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide?

The IUPAC name of 4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide (CID 7080310) is 4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide.

What is the SMILES notation for 4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide?

The canonical SMILES for 4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide is Cc1c(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)nc2ncccn12.

What is the InChIKey of 4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide?

The InChIKey is FBQOGSBHGCSHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-16-21(27-23-25-13-6-14-28(16)23)18-7-5-8-20(15-18)26-22(29)17-9-11-19(12-10-17)24(2,3)4/h5-15H,1-4H3,(H,26,29).

What are the key properties of 4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide?

4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide is sourced from PubChem (CID 7080310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).