N-(2-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide

C32H27N3O5 — CID 122177922

About N-(2-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide

N-(2-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide (PubChem CID 122177922) has the molecular formula C32H27N3O5 and a molecular weight of 533.58 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide
• PubChem CID: 122177922
• Molecular Formula: C32H27N3O5
• Molecular Weight: 533.58 g/mol
• Exact Mass: 533.20
• IUPAC Name: N-(2-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide
• SMILES: COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4OC)cc3)N=C2c2ccccc2)cc1
• InChI: InChI=1S/C32H27N3O5/c1-38-25-18-14-24(15-19-25)35-31(23-8-4-3-5-9-23)34-28(32(35)37)20-22-12-16-26(17-13-22)40-21-30(36)33-27-10-6-7-11-29(27)39-2/h3-20H,21H2,1-2H3,(H,33,36)/b28-20-
• InChIKey: CQROFPIONQPUHB-RRAHZORUSA-N
• XLogP: 5.56
• TPSA: 89.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.58
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide?

The IUPAC name of N-(2-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide (CID 122177922) is N-(2-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide.

What is the SMILES notation for N-(2-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide?

The canonical SMILES for N-(2-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide is COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4OC)cc3)N=C2c2ccccc2)cc1.

What is the InChIKey of N-(2-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide?

The InChIKey is CQROFPIONQPUHB-RRAHZORUSA-N. The full InChI is InChI=1S/C32H27N3O5/c1-38-25-18-14-24(15-19-25)35-31(23-8-4-3-5-9-23)34-28(32(35)37)20-22-12-16-26(17-13-22)40-21-30(36)33-27-10-6-7-11-29(27)39-2/h3-20H,21H2,1-2H3,(H,33,36)/b28-20-.

What are the key properties of N-(2-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide?

N-(2-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide has a molecular weight of 533.58 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 122177922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).