1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea

C24H24N6O3 — CID 122306959

About 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea

1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea (PubChem CID 122306959) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea.

Molecular Properties

• Compound Name: 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea
• PubChem CID: 122306959
• Molecular Formula: C24H24N6O3
• Molecular Weight: 444.50 g/mol
• Exact Mass: 444.19
• IUPAC Name: 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea
• SMILES: COc1ccc(NC(=O)Nc2ccc(Oc3ccc(-n4cnc(C)c4C)nn3)cc2)c(C)c1
• InChI: InChI=1S/C24H24N6O3/c1-15-13-20(32-4)9-10-21(15)27-24(31)26-18-5-7-19(8-6-18)33-23-12-11-22(28-29-23)30-14-25-16(2)17(30)3/h5-14H,1-4H3,(H2,26,27,31)
• InChIKey: JJIKUVTXIZPULP-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 103.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.50
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea?

The IUPAC name of 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea (CID 122306959) is 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea.

What is the SMILES notation for 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea?

The canonical SMILES for 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea is COc1ccc(NC(=O)Nc2ccc(Oc3ccc(-n4cnc(C)c4C)nn3)cc2)c(C)c1.

What is the InChIKey of 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea?

The InChIKey is JJIKUVTXIZPULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-15-13-20(32-4)9-10-21(15)27-24(31)26-18-5-7-19(8-6-18)33-23-12-11-22(28-29-23)30-14-25-16(2)17(30)3/h5-14H,1-4H3,(H2,26,27,31).

What are the key properties of 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea?

1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea has a molecular weight of 444.50 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea is sourced from PubChem (CID 122306959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).