2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine

C37H34N4O2 — CID 168758544

About 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine

2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine (PubChem CID 168758544) has the molecular formula C37H34N4O2 and a molecular weight of 566.71 g/mol. Its IUPAC name is 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine.

Molecular Properties

• Compound Name: 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine
• PubChem CID: 168758544
• Molecular Formula: C37H34N4O2
• Molecular Weight: 566.71 g/mol
• Exact Mass: 566.27
• IUPAC Name: 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine
• SMILES: CN1C=CN(c2cccc(Oc3cc(-c4cc(-c5cccc(Oc6ccccc6)c5)ccn4)cc(N4CCCC4)c3)c2)C1
• InChI: InChI=1S/C37H34N4O2/c1-39-19-20-41(27-39)31-10-8-14-35(25-31)43-36-23-30(21-32(26-36)40-17-5-6-18-40)37-24-29(15-16-38-37)28-9-7-13-34(22-28)42-33-11-3-2-4-12-33/h2-4,7-16,19-26H,5-6,17-18,27H2,1H3
• InChIKey: VYFMPSSSSORWLS-UHFFFAOYSA-N
• XLogP: 8.78
• TPSA: 41.07 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.71
LogP ≤ 5	8.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine?

The IUPAC name of 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine (CID 168758544) is 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine.

What is the SMILES notation for 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine?

The canonical SMILES for 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine is CN1C=CN(c2cccc(Oc3cc(-c4cc(-c5cccc(Oc6ccccc6)c5)ccn4)cc(N4CCCC4)c3)c2)C1.

What is the InChIKey of 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine?

The InChIKey is VYFMPSSSSORWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N4O2/c1-39-19-20-41(27-39)31-10-8-14-35(25-31)43-36-23-30(21-32(26-36)40-17-5-6-18-40)37-24-29(15-16-38-37)28-9-7-13-34(22-28)42-33-11-3-2-4-12-33/h2-4,7-16,19-26H,5-6,17-18,27H2,1H3.

What are the key properties of 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine?

2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine has a molecular weight of 566.71 g/mol, XLogP of 8.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine is sourced from PubChem (CID 168758544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).