phenyl-[4-[4-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]phenyl]methanone

C31H26N2O4 — CID 2208629

About phenyl-[4-[4-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]phenyl]methanone

phenyl-[4-[4-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]phenyl]methanone (PubChem CID 2208629) has the molecular formula C31H26N2O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is phenyl-[4-[4-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]phenyl]methanone.

Molecular Properties

• Compound Name: phenyl-[4-[4-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]phenyl]methanone
• PubChem CID: 2208629
• Molecular Formula: C31H26N2O4
• Molecular Weight: 490.56 g/mol
• Exact Mass: 490.19
• IUPAC Name: phenyl-[4-[4-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]phenyl]methanone
• SMILES: COc1cc(OC)c(-c2nc(-c3ccccc3)c(-c3ccc(C(=O)c4ccccc4)cc3)[nH]2)cc1OC
• InChI: InChI=1S/C31H26N2O4/c1-35-25-19-27(37-3)26(36-2)18-24(25)31-32-28(20-10-6-4-7-11-20)29(33-31)21-14-16-23(17-15-21)30(34)22-12-8-5-9-13-22/h4-19H,1-3H3,(H,32,33)
• InChIKey: SKKXCSVAXPFVKU-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 73.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.56
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[4-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]phenyl]methanone?

The IUPAC name of phenyl-[4-[4-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]phenyl]methanone (CID 2208629) is phenyl-[4-[4-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]phenyl]methanone.

What is the SMILES notation for phenyl-[4-[4-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]phenyl]methanone?

The canonical SMILES for phenyl-[4-[4-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]phenyl]methanone is COc1cc(OC)c(-c2nc(-c3ccccc3)c(-c3ccc(C(=O)c4ccccc4)cc3)[nH]2)cc1OC.

What is the InChIKey of phenyl-[4-[4-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]phenyl]methanone?

The InChIKey is SKKXCSVAXPFVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O4/c1-35-25-19-27(37-3)26(36-2)18-24(25)31-32-28(20-10-6-4-7-11-20)29(33-31)21-14-16-23(17-15-21)30(34)22-12-8-5-9-13-22/h4-19H,1-3H3,(H,32,33).

What are the key properties of phenyl-[4-[4-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]phenyl]methanone?

phenyl-[4-[4-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]phenyl]methanone has a molecular weight of 490.56 g/mol, XLogP of 6.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for phenyl-[4-[4-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]phenyl]methanone is sourced from PubChem (CID 2208629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).