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

C25H27N5O6 — CID 135846070

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

(5Z)-5-[5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione (PubChem CID 135846070) has the molecular formula C25H27N5O6 and a molecular weight of 493.52 g/mol. Its IUPAC name is (5Z)-5-[5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
• PubChem CID: 135846070
• Molecular Formula: C25H27N5O6
• Molecular Weight: 493.52 g/mol
• Exact Mass: 493.20
• IUPAC Name: (5Z)-5-[5-[(4-hydroxy-3,5-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)c2Cc2cc(OC)c(O)c(OC)c2)cc1
• InChI: InChI=1S/C25H27N5O6/c1-29-18(11-15-12-19(35-4)21(31)20(13-15)36-5)17(10-14-6-8-16(34-3)9-7-14)26-24(29)27-22-23(32)30(2)25(33)28-22/h6-9,12-13,31H,10-11H2,1-5H3,(H,26,27,28,33)
• InChIKey: ADZJHBDSFDCAED-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-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?

The IUPAC name of (5Z)-5-[5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione (CID 135846070) is (5Z)-5-[5-[(4-hydroxy-3,5-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-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[5-[(4-hydroxy-3,5-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)c2Cc2cc(OC)c(O)c(OC)c2)cc1.

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

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

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

(5Z)-5-[5-[(4-hydroxy-3,5-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-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 135846070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).