1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea

C25H25Cl2N5O — CID 3212358

About 1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea

1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea (PubChem CID 3212358) has the molecular formula C25H25Cl2N5O and a molecular weight of 482.42 g/mol. Its IUPAC name is 1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea.

Molecular Properties

• Compound Name: 1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
• PubChem CID: 3212358
• Molecular Formula: C25H25Cl2N5O
• Molecular Weight: 482.42 g/mol
• Exact Mass: 481.14
• IUPAC Name: 1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
• SMILES: CCCCc1nc2cc(NC(=O)Nc3cccc(Cl)c3)c(C)nc2n1Cc1ccccc1Cl
• InChI: InChI=1S/C25H25Cl2N5O/c1-3-4-12-23-30-22-14-21(31-25(33)29-19-10-7-9-18(26)13-19)16(2)28-24(22)32(23)15-17-8-5-6-11-20(17)27/h5-11,13-14H,3-4,12,15H2,1-2H3,(H2,29,31,33)
• InChIKey: DUQOUPADWJYFPJ-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.42
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea?

The IUPAC name of 1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea (CID 3212358) is 1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea.

What is the SMILES notation for 1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea?

The canonical SMILES for 1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea is CCCCc1nc2cc(NC(=O)Nc3cccc(Cl)c3)c(C)nc2n1Cc1ccccc1Cl.

What is the InChIKey of 1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea?

The InChIKey is DUQOUPADWJYFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N5O/c1-3-4-12-23-30-22-14-21(31-25(33)29-19-10-7-9-18(26)13-19)16(2)28-24(22)32(23)15-17-8-5-6-11-20(17)27/h5-11,13-14H,3-4,12,15H2,1-2H3,(H2,29,31,33).

What are the key properties of 1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea?

1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea has a molecular weight of 482.42 g/mol, XLogP of 7.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 3212358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).