1-(5-chloro-2-methoxyphenyl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea

C22H19ClN4O2 — CID 121089818

About 1-(5-chloro-2-methoxyphenyl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea (PubChem CID 121089818) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-(5-chloro-2-methoxyphenyl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
• PubChem CID: 121089818
• Molecular Formula: C22H19ClN4O2
• Molecular Weight: 406.87 g/mol
• Exact Mass: 406.12
• IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
• SMILES: COc1ccc(Cl)cc1NC(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1
• InChI: InChI=1S/C22H19ClN4O2/c1-14-4-3-11-27-13-19(25-21(14)27)15-5-8-17(9-6-15)24-22(28)26-18-12-16(23)7-10-20(18)29-2/h3-13H,1-2H3,(H2,24,26,28)
• InChIKey: QQLXXXSVEHBSKI-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 67.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.87
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?

The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea (CID 121089818) is 1-(5-chloro-2-methoxyphenyl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea.

What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?

The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea is COc1ccc(Cl)cc1NC(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1.

What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?

The InChIKey is QQLXXXSVEHBSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-14-4-3-11-27-13-19(25-21(14)27)15-5-8-17(9-6-15)24-22(28)26-18-12-16(23)7-10-20(18)29-2/h3-13H,1-2H3,(H2,24,26,28).

What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?

1-(5-chloro-2-methoxyphenyl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea has a molecular weight of 406.87 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloro-2-methoxyphenyl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea is sourced from PubChem (CID 121089818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).