(5Z)-5-[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione

C25H27N5O6 — CID 135497146

About (5Z)-5-[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione

(5Z)-5-[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione (PubChem CID 135497146) has the molecular formula C25H27N5O6 and a molecular weight of 493.52 g/mol. Its IUPAC name is (5Z)-5-[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
• PubChem CID: 135497146
• Molecular Formula: C25H27N5O6
• Molecular Weight: 493.52 g/mol
• Exact Mass: 493.20
• IUPAC Name: (5Z)-5-[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
• SMILES: COc1ccc(Cc2nc(/N=C3\NC(=O)N(C)C3=O)n(C)c2Cc2ccc(OC)c(OC)c2O)cc1
• InChI: InChI=1S/C25H27N5O6/c1-29-18(13-15-8-11-19(35-4)21(36-5)20(15)31)17(12-14-6-9-16(34-3)10-7-14)26-24(29)27-22-23(32)30(2)25(33)28-22/h6-11,31H,12-13H2,1-5H3,(H,26,27,28,33)
• InChIKey: WVQSYFNWLYCGGT-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 127.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.52
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?

The IUPAC name of (5Z)-5-[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione (CID 135497146) is (5Z)-5-[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione is COc1ccc(Cc2nc(/N=C3\NC(=O)N(C)C3=O)n(C)c2Cc2ccc(OC)c(OC)c2O)cc1.

What is the InChIKey of (5Z)-5-[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?

The InChIKey is WVQSYFNWLYCGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O6/c1-29-18(13-15-8-11-19(35-4)21(36-5)20(15)31)17(12-14-6-9-16(34-3)10-7-14)26-24(29)27-22-23(32)30(2)25(33)28-22/h6-11,31H,12-13H2,1-5H3,(H,26,27,28,33).

What are the key properties of (5Z)-5-[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?

(5Z)-5-[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione has a molecular weight of 493.52 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 135497146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).