2-(1,3-benzodioxol-5-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine

C23H29N3O2 — CID 5206181

About 2-(1,3-benzodioxol-5-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine

2-(1,3-benzodioxol-5-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 5206181) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
• PubChem CID: 5206181
• Molecular Formula: C23H29N3O2
• Molecular Weight: 379.50 g/mol
• Exact Mass: 379.23
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
• SMILES: Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccc4c(c3)OCO4)nc2c1
• InChI: InChI=1S/C23H29N3O2/c1-15-9-10-26-19(11-15)24-20(16-7-8-17-18(12-16)28-14-27-17)21(26)25-23(5,6)13-22(2,3)4/h7-12,25H,13-14H2,1-6H3
• InChIKey: NMNZDQAKHJFHFL-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 47.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	379.50
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?

The IUPAC name of 2-(1,3-benzodioxol-5-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 5206181) is 2-(1,3-benzodioxol-5-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.

What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?

The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccc4c(c3)OCO4)nc2c1.

What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?

The InChIKey is NMNZDQAKHJFHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-15-9-10-26-19(11-15)24-20(16-7-8-17-18(12-16)28-14-27-17)21(26)25-23(5,6)13-22(2,3)4/h7-12,25H,13-14H2,1-6H3.

What are the key properties of 2-(1,3-benzodioxol-5-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?

2-(1,3-benzodioxol-5-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 379.50 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 5206181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).