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

C26H28ClN5O2 — CID 3212343

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

1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea (PubChem CID 3212343) has the molecular formula C26H28ClN5O2 and a molecular weight of 478.00 g/mol. Its IUPAC name is 1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea.

Molecular Properties

• Compound Name: 1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
• PubChem CID: 3212343
• Molecular Formula: C26H28ClN5O2
• Molecular Weight: 478.00 g/mol
• Exact Mass: 477.19
• IUPAC Name: 1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
• SMILES: CCCCc1nc2cc(NC(=O)Nc3cccc(Cl)c3)c(C)nc2n1Cc1ccc(OC)cc1
• InChI: InChI=1S/C26H28ClN5O2/c1-4-5-9-24-30-23-15-22(31-26(33)29-20-8-6-7-19(27)14-20)17(2)28-25(23)32(24)16-18-10-12-21(34-3)13-11-18/h6-8,10-15H,4-5,9,16H2,1-3H3,(H2,29,31,33)
• InChIKey: CRBSEMAZCYGSGU-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 81.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.00
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea (CID 3212343) is 1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea.

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

The canonical SMILES for 1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea is CCCCc1nc2cc(NC(=O)Nc3cccc(Cl)c3)c(C)nc2n1Cc1ccc(OC)cc1.

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

The InChIKey is CRBSEMAZCYGSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O2/c1-4-5-9-24-30-23-15-22(31-26(33)29-20-8-6-7-19(27)14-20)17(2)28-25(23)32(24)16-18-10-12-21(34-3)13-11-18/h6-8,10-15H,4-5,9,16H2,1-3H3,(H2,29,31,33).

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

1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea has a molecular weight of 478.00 g/mol, XLogP of 6.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 3212343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).