4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide

C29H26N6O — CID 149318625

About 4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide

4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide (PubChem CID 149318625) has the molecular formula C29H26N6O and a molecular weight of 474.57 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide
• PubChem CID: 149318625
• Molecular Formula: C29H26N6O
• Molecular Weight: 474.57 g/mol
• Exact Mass: 474.22
• IUPAC Name: 4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide
• SMILES: Cc1cc(NC(=O)c2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc(-n2cnc(C)c2)c1
• InChI: InChI=1S/C29H26N6O/c1-19-11-25(15-26(12-19)35-17-21(3)32-18-35)33-29(36)22-7-6-20(2)24(13-22)14-28-31-10-8-27(34-28)23-5-4-9-30-16-23/h4-13,15-18H,14H2,1-3H3,(H,33,36)
• InChIKey: YAACZFCOWQRMIV-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.57
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide?

The IUPAC name of 4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide (CID 149318625) is 4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide.

What is the SMILES notation for 4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide?

The canonical SMILES for 4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide is Cc1cc(NC(=O)c2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc(-n2cnc(C)c2)c1.

What is the InChIKey of 4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide?

The InChIKey is YAACZFCOWQRMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O/c1-19-11-25(15-26(12-19)35-17-21(3)32-18-35)33-29(36)22-7-6-20(2)24(13-22)14-28-31-10-8-27(34-28)23-5-4-9-30-16-23/h4-13,15-18H,14H2,1-3H3,(H,33,36).

What are the key properties of 4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide?

4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide has a molecular weight of 474.57 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 149318625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).