5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C18H23N3O3 — CID 118739314

About 5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 118739314) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
• PubChem CID: 118739314
• Molecular Formula: C18H23N3O3
• Molecular Weight: 329.40 g/mol
• Exact Mass: 329.17
• IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
• SMILES: CCOCC1CN(Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21
• InChI: InChI=1S/C18H23N3O3/c1-3-22-10-14-8-21(9-15-18(14)20(2)11-19-15)7-13-4-5-16-17(6-13)24-12-23-16/h4-6,11,14H,3,7-10,12H2,1-2H3
• InChIKey: VMAWESUNTLAWML-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 48.75 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.40
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?

The IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 118739314) is 5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?

The canonical SMILES for 5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CCOCC1CN(Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21.

What is the InChIKey of 5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?

The InChIKey is VMAWESUNTLAWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-22-10-14-8-21(9-15-18(14)20(2)11-19-15)7-13-4-5-16-17(6-13)24-12-23-16/h4-6,11,14H,3,7-10,12H2,1-2H3.

What are the key properties of 5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?

5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 329.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 118739314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).