1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea

C24H25N5O — CID 53019858

About 1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea

1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 53019858) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

• Compound Name: 1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea
• PubChem CID: 53019858
• Molecular Formula: C24H25N5O
• Molecular Weight: 399.50 g/mol
• Exact Mass: 399.21
• IUPAC Name: 1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea
• SMILES: Cc1ccc(CNC(=O)NCCn2c(-c3ccc(C)cc3)nc3cccnc32)cc1
• InChI: InChI=1S/C24H25N5O/c1-17-5-9-19(10-6-17)16-27-24(30)26-14-15-29-22(20-11-7-18(2)8-12-20)28-21-4-3-13-25-23(21)29/h3-13H,14-16H2,1-2H3,(H2,26,27,30)
• InChIKey: WRISBKOCEZHMMW-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.50
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea?

The IUPAC name of 1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea (CID 53019858) is 1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea.

What is the SMILES notation for 1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea?

The canonical SMILES for 1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)NCCn2c(-c3ccc(C)cc3)nc3cccnc32)cc1.

What is the InChIKey of 1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea?

The InChIKey is WRISBKOCEZHMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-17-5-9-19(10-6-17)16-27-24(30)26-14-15-29-22(20-11-7-18(2)8-12-20)28-21-4-3-13-25-23(21)29/h3-13H,14-16H2,1-2H3,(H2,26,27,30).

What are the key properties of 1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea?

1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 399.50 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 53019858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).