N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide

C32H32N4O4 — CID 130311972

About N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide

N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide (PubChem CID 130311972) has the molecular formula C32H32N4O4 and a molecular weight of 536.63 g/mol. Its IUPAC name is N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide.

Molecular Properties

• Compound Name: N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
• PubChem CID: 130311972
• Molecular Formula: C32H32N4O4
• Molecular Weight: 536.63 g/mol
• Exact Mass: 536.24
• IUPAC Name: N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
• SMILES: CNC(=O)C(CCC=O)N1Cc2c(OCc3ccc(Cn4cc(-c5ccccc5)nc4C)cc3)cccc2C1=O
• InChI: InChI=1S/C32H32N4O4/c1-22-34-28(25-8-4-3-5-9-25)20-35(22)18-23-13-15-24(16-14-23)21-40-30-12-6-10-26-27(30)19-36(32(26)39)29(11-7-17-37)31(38)33-2/h3-6,8-10,12-17,20,29H,7,11,18-19,21H2,1-2H3,(H,33,38)
• InChIKey: SVWKMVPURXJIQO-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.63
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?

The IUPAC name of N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide (CID 130311972) is N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide.

What is the SMILES notation for N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?

The canonical SMILES for N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide is CNC(=O)C(CCC=O)N1Cc2c(OCc3ccc(Cn4cc(-c5ccccc5)nc4C)cc3)cccc2C1=O.

What is the InChIKey of N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?

The InChIKey is SVWKMVPURXJIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O4/c1-22-34-28(25-8-4-3-5-9-25)20-35(22)18-23-13-15-24(16-14-23)21-40-30-12-6-10-26-27(30)19-36(32(26)39)29(11-7-17-37)31(38)33-2/h3-6,8-10,12-17,20,29H,7,11,18-19,21H2,1-2H3,(H,33,38).

What are the key properties of N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?

N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide has a molecular weight of 536.63 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide is sourced from PubChem (CID 130311972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).