(4-fluorophenyl)-[4-[4-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-5-yl]phenyl]methanone

C36H23FN2O — CID 22310518

About (4-fluorophenyl)-[4-[4-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-5-yl]phenyl]methanone

(4-fluorophenyl)-[4-[4-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-5-yl]phenyl]methanone (PubChem CID 22310518) has the molecular formula C36H23FN2O and a molecular weight of 518.59 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[4-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-5-yl]phenyl]methanone.

Molecular Properties

• Compound Name: (4-fluorophenyl)-[4-[4-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-5-yl]phenyl]methanone
• PubChem CID: 22310518
• Molecular Formula: C36H23FN2O
• Molecular Weight: 518.59 g/mol
• Exact Mass: 518.18
• IUPAC Name: (4-fluorophenyl)-[4-[4-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-5-yl]phenyl]methanone
• SMILES: O=C(c1ccc(F)cc1)c1ccc(-c2[nH]c(-c3ccc(C#Cc4ccccc4)cc3)nc2-c2ccccc2)cc1
• InChI: InChI=1S/C36H23FN2O/c37-32-23-21-30(22-24-32)35(40)29-19-17-28(18-20-29)34-33(27-9-5-2-6-10-27)38-36(39-34)31-15-13-26(14-16-31)12-11-25-7-3-1-4-8-25/h1-10,13-24H,(H,38,39)
• InChIKey: RIMMQZSYCQATFZ-UHFFFAOYSA-N
• XLogP: 8.18
• TPSA: 45.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.59
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (4-fluorophenyl)-[4-[4-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-5-yl]phenyl]methanone (CID 22310518) is (4-fluorophenyl)-[4-[4-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-5-yl]phenyl]methanone.

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

The canonical SMILES for (4-fluorophenyl)-[4-[4-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-5-yl]phenyl]methanone is O=C(c1ccc(F)cc1)c1ccc(-c2[nH]c(-c3ccc(C#Cc4ccccc4)cc3)nc2-c2ccccc2)cc1.

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

The InChIKey is RIMMQZSYCQATFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23FN2O/c37-32-23-21-30(22-24-32)35(40)29-19-17-28(18-20-29)34-33(27-9-5-2-6-10-27)38-36(39-34)31-15-13-26(14-16-31)12-11-25-7-3-1-4-8-25/h1-10,13-24H,(H,38,39).

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

(4-fluorophenyl)-[4-[4-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-5-yl]phenyl]methanone has a molecular weight of 518.59 g/mol, XLogP of 8.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4-fluorophenyl)-[4-[4-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-5-yl]phenyl]methanone is sourced from PubChem (CID 22310518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).