2-(2,3-difluorophenyl)-5-[(2-fluoro-4-phenylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-5-ium

C25H17F3N3+ — CID 90838191

About 2-(2,3-difluorophenyl)-5-[(2-fluoro-4-phenylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-5-ium

2-(2,3-difluorophenyl)-5-[(2-fluoro-4-phenylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-5-ium (PubChem CID 90838191) has the molecular formula C25H17F3N3+ and a molecular weight of 416.43 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-5-[(2-fluoro-4-phenylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-5-ium.

Molecular Properties

• Compound Name: 2-(2,3-difluorophenyl)-5-[(2-fluoro-4-phenylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-5-ium
• PubChem CID: 90838191
• Molecular Formula: C25H17F3N3+
• Molecular Weight: 416.43 g/mol
• Exact Mass: 416.14
• IUPAC Name: 2-(2,3-difluorophenyl)-5-[(2-fluoro-4-phenylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-5-ium
• SMILES: Fc1cc(-c2ccccc2)ccc1C[n+]1ccc2nc(-c3cccc(F)c3F)[nH]c2c1
• InChI: InChI=1S/C25H16F3N3/c26-20-8-4-7-19(24(20)28)25-29-22-11-12-31(15-23(22)30-25)14-18-10-9-17(13-21(18)27)16-5-2-1-3-6-16/h1-13,15H,14H2/p+1
• InChIKey: RZDVWRJIDHNVNM-UHFFFAOYSA-O
• XLogP: 5.65
• TPSA: 32.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.43
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-5-[(2-fluoro-4-phenylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-5-ium?

The IUPAC name of 2-(2,3-difluorophenyl)-5-[(2-fluoro-4-phenylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-5-ium (CID 90838191) is 2-(2,3-difluorophenyl)-5-[(2-fluoro-4-phenylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-5-ium.

What is the SMILES notation for 2-(2,3-difluorophenyl)-5-[(2-fluoro-4-phenylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-5-ium?

The canonical SMILES for 2-(2,3-difluorophenyl)-5-[(2-fluoro-4-phenylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-5-ium is Fc1cc(-c2ccccc2)ccc1C[n+]1ccc2nc(-c3cccc(F)c3F)[nH]c2c1.

What is the InChIKey of 2-(2,3-difluorophenyl)-5-[(2-fluoro-4-phenylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-5-ium?

The InChIKey is RZDVWRJIDHNVNM-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H16F3N3/c26-20-8-4-7-19(24(20)28)25-29-22-11-12-31(15-23(22)30-25)14-18-10-9-17(13-21(18)27)16-5-2-1-3-6-16/h1-13,15H,14H2/p+1.

What are the key properties of 2-(2,3-difluorophenyl)-5-[(2-fluoro-4-phenylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-5-ium?

2-(2,3-difluorophenyl)-5-[(2-fluoro-4-phenylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-5-ium has a molecular weight of 416.43 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-difluorophenyl)-5-[(2-fluoro-4-phenylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-5-ium is sourced from PubChem (CID 90838191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).