1-[3-[[4-(3-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea

C26H27N5O2 — CID 1437865

About 1-[3-[[4-(3-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea

1-[3-[[4-(3-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea (PubChem CID 1437865) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 1-[3-[[4-(3-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea.

Molecular Properties

• Compound Name: 1-[3-[[4-(3-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea
• PubChem CID: 1437865
• Molecular Formula: C26H27N5O2
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.22
• IUPAC Name: 1-[3-[[4-(3-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea
• SMILES: CCNC(=O)Nc1cc2nc(C)n(Cc3ccc(-c4cccc(C(C)=O)c4)cc3)c2nc1C
• InChI: InChI=1S/C26H27N5O2/c1-5-27-26(33)30-23-14-24-25(28-16(23)2)31(18(4)29-24)15-19-9-11-20(12-10-19)22-8-6-7-21(13-22)17(3)32/h6-14H,5,15H2,1-4H3,(H2,27,30,33)
• InChIKey: IWMGHUUTRUXPPZ-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(3-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea?

The IUPAC name of 1-[3-[[4-(3-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea (CID 1437865) is 1-[3-[[4-(3-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea.

What is the SMILES notation for 1-[3-[[4-(3-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea?

The canonical SMILES for 1-[3-[[4-(3-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea is CCNC(=O)Nc1cc2nc(C)n(Cc3ccc(-c4cccc(C(C)=O)c4)cc3)c2nc1C.

What is the InChIKey of 1-[3-[[4-(3-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea?

The InChIKey is IWMGHUUTRUXPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-5-27-26(33)30-23-14-24-25(28-16(23)2)31(18(4)29-24)15-19-9-11-20(12-10-19)22-8-6-7-21(13-22)17(3)32/h6-14H,5,15H2,1-4H3,(H2,27,30,33).

What are the key properties of 1-[3-[[4-(3-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea?

1-[3-[[4-(3-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea has a molecular weight of 441.54 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[4-(3-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea is sourced from PubChem (CID 1437865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).