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

C22H19ClN4O — CID 121090099

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

1-(2-chloro-4-methylphenyl)-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea (PubChem CID 121090099) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-(2-chloro-4-methylphenyl)-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
• PubChem CID: 121090099
• Molecular Formula: C22H19ClN4O
• Molecular Weight: 390.87 g/mol
• Exact Mass: 390.12
• IUPAC Name: 1-(2-chloro-4-methylphenyl)-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
• SMILES: Cc1ccc(NC(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)c(Cl)c1
• InChI: InChI=1S/C22H19ClN4O/c1-14-8-9-19(18(23)11-14)26-22(28)24-17-7-3-6-16(12-17)20-13-27-10-4-5-15(2)21(27)25-20/h3-13H,1-2H3,(H2,24,26,28)
• InChIKey: KERGFIPQUCZNQY-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 58.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.87
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea (CID 121090099) is 1-(2-chloro-4-methylphenyl)-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea.

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

The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea is Cc1ccc(NC(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)c(Cl)c1.

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

The InChIKey is KERGFIPQUCZNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O/c1-14-8-9-19(18(23)11-14)26-22(28)24-17-7-3-6-16(12-17)20-13-27-10-4-5-15(2)21(27)25-20/h3-13H,1-2H3,(H2,24,26,28).

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

1-(2-chloro-4-methylphenyl)-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea has a molecular weight of 390.87 g/mol, XLogP of 5.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-4-methylphenyl)-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea is sourced from PubChem (CID 121090099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).