3-chloro-N-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]benzamide

C23H21ClN4O2 — CID 1434264

About 3-chloro-N-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]benzamide

3-chloro-N-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]benzamide (PubChem CID 1434264) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 3-chloro-N-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]benzamide
• PubChem CID: 1434264
• Molecular Formula: C23H21ClN4O2
• Molecular Weight: 420.90 g/mol
• Exact Mass: 420.14
• IUPAC Name: 3-chloro-N-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]benzamide
• SMILES: COc1ccc(Cn2c(C)nc3cc(NC(=O)c4cccc(Cl)c4)c(C)nc32)cc1
• InChI: InChI=1S/C23H21ClN4O2/c1-14-20(27-23(29)17-5-4-6-18(24)11-17)12-21-22(25-14)28(15(2)26-21)13-16-7-9-19(30-3)10-8-16/h4-12H,13H2,1-3H3,(H,27,29)
• InChIKey: NIBHJWNSOOCPJF-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.90
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]benzamide?

The IUPAC name of 3-chloro-N-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]benzamide (CID 1434264) is 3-chloro-N-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]benzamide.

What is the SMILES notation for 3-chloro-N-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]benzamide?

The canonical SMILES for 3-chloro-N-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]benzamide is COc1ccc(Cn2c(C)nc3cc(NC(=O)c4cccc(Cl)c4)c(C)nc32)cc1.

What is the InChIKey of 3-chloro-N-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]benzamide?

The InChIKey is NIBHJWNSOOCPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-14-20(27-23(29)17-5-4-6-18(24)11-17)12-21-22(25-14)28(15(2)26-21)13-16-7-9-19(30-3)10-8-16/h4-12H,13H2,1-3H3,(H,27,29).

What are the key properties of 3-chloro-N-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]benzamide?

3-chloro-N-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]benzamide has a molecular weight of 420.90 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]benzamide is sourced from PubChem (CID 1434264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).