N-[2-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide

C23H27N7O2 — CID 70704053

About N-[2-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide

N-[2-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 70704053) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[2-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide
• PubChem CID: 70704053
• Molecular Formula: C23H27N7O2
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.22
• IUPAC Name: N-[2-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide
• SMILES: Cc1nc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc(-n2cnc(C)c2C)n1
• InChI: InChI=1S/C23H27N7O2/c1-16-17(2)30(15-25-16)21-13-20(26-18(3)27-21)28-9-11-29(12-10-28)22(31)14-24-23(32)19-7-5-4-6-8-19/h4-8,13,15H,9-12,14H2,1-3H3,(H,24,32)
• InChIKey: DLWWGJXRIFBVCB-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 96.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide?

The IUPAC name of N-[2-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide (CID 70704053) is N-[2-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide.

What is the SMILES notation for N-[2-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide?

The canonical SMILES for N-[2-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide is Cc1nc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc(-n2cnc(C)c2C)n1.

What is the InChIKey of N-[2-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide?

The InChIKey is DLWWGJXRIFBVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-16-17(2)30(15-25-16)21-13-20(26-18(3)27-21)28-9-11-29(12-10-28)22(31)14-24-23(32)19-7-5-4-6-8-19/h4-8,13,15H,9-12,14H2,1-3H3,(H,24,32).

What are the key properties of N-[2-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide?

N-[2-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 433.52 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 70704053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).