6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine

C22H21N5O — CID 68631964

About 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine

6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine (PubChem CID 68631964) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine.

Molecular Properties

• Compound Name: 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine
• PubChem CID: 68631964
• Molecular Formula: C22H21N5O
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.17
• IUPAC Name: 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine
• SMILES: COc1cc(Nc2cccc(Nc3ccccc3)n2)ccc1-c1ncc(C)[nH]1
• InChI: InChI=1S/C22H21N5O/c1-15-14-23-22(24-15)18-12-11-17(13-19(18)28-2)26-21-10-6-9-20(27-21)25-16-7-4-3-5-8-16/h3-14H,1-2H3,(H,23,24)(H2,25,26,27)
• InChIKey: INIMNQFBXGUVBB-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 74.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine?

The IUPAC name of 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine (CID 68631964) is 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine.

What is the SMILES notation for 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine?

The canonical SMILES for 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine is COc1cc(Nc2cccc(Nc3ccccc3)n2)ccc1-c1ncc(C)[nH]1.

What is the InChIKey of 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine?

The InChIKey is INIMNQFBXGUVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-15-14-23-22(24-15)18-12-11-17(13-19(18)28-2)26-21-10-6-9-20(27-21)25-16-7-4-3-5-8-16/h3-14H,1-2H3,(H,23,24)(H2,25,26,27).

What are the key properties of 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine?

6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine has a molecular weight of 371.44 g/mol, XLogP of 5.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine is sourced from PubChem (CID 68631964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).