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

C24H33N3O2 — CID 3898139

IUPAC2-(2,5-dimethoxyphenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(OC)c(-c2nc3cccc(C)n3c2NC(C)(C)CC(C)(C)C)c1
InChIInChI=1S/C24H33N3O2/c1-16-10-9-11-20-25-21(18-14-17(28-7)12-13-19(18)29-8)22(27(16)20)26-24(5,6)15-23(2,3)4/h9-14,26H,15H2,1-8H3
InChIKeyNMXSWZGXXQQJBT-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.95
Rot. Bonds6

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

2-(2,5-dimethoxyphenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 3898139) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID3898139
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-(2,5-dimethoxyphenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(OC)c(-c2nc3cccc(C)n3c2NC(C)(C)CC(C)(C)C)c1
InChIInChI=1S/C24H33N3O2/c1-16-10-9-11-20-25-21(18-14-17(28-7)12-13-19(18)29-8)22(27(16)20)26-24(5,6)15-23(2,3)4/h9-14,26H,15H2,1-8H3
InChIKeyNMXSWZGXXQQJBT-UHFFFAOYSA-N
XLogP5.95
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 3898139) is 2-(2,5-dimethoxyphenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is COc1ccc(OC)c(-c2nc3cccc(C)n3c2NC(C)(C)CC(C)(C)C)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is NMXSWZGXXQQJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-16-10-9-11-20-25-21(18-14-17(28-7)12-13-19(18)29-8)22(27(16)20)26-24(5,6)15-23(2,3)4/h9-14,26H,15H2,1-8H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
2-(2,5-dimethoxyphenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 395.55 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 3898139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).