2-(3,4-dimethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid

C17H20N2O2 — CID 83966438

About 2-(3,4-dimethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid

2-(3,4-dimethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 83966438) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 2-(3,4-dimethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
• PubChem CID: 83966438
• Molecular Formula: C17H20N2O2
• Molecular Weight: 284.36 g/mol
• Exact Mass: 284.15
• IUPAC Name: 2-(3,4-dimethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
• SMILES: Cc1ccc(-c2nc3n(c2C)CC(C(=O)O)CC3)cc1C
• InChI: InChI=1S/C17H20N2O2/c1-10-4-5-13(8-11(10)2)16-12(3)19-9-14(17(20)21)6-7-15(19)18-16/h4-5,8,14H,6-7,9H2,1-3H3,(H,20,21)
• InChIKey: ROSJGKJOSPXPBZ-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 55.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.36
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?

The IUPAC name of 2-(3,4-dimethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid (CID 83966438) is 2-(3,4-dimethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid.

What is the SMILES notation for 2-(3,4-dimethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?

The canonical SMILES for 2-(3,4-dimethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid is Cc1ccc(-c2nc3n(c2C)CC(C(=O)O)CC3)cc1C.

What is the InChIKey of 2-(3,4-dimethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?

The InChIKey is ROSJGKJOSPXPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-10-4-5-13(8-11(10)2)16-12(3)19-9-14(17(20)21)6-7-15(19)18-16/h4-5,8,14H,6-7,9H2,1-3H3,(H,20,21).

What are the key properties of 2-(3,4-dimethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?

2-(3,4-dimethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 83966438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).