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

C16H18N2O2 — CID 82123794

IUPAC2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCc1ccc(-c2nc3n(c2C(=O)O)CCCC3)cc1
InChIInChI=1S/C16H18N2O2/c1-2-11-6-8-12(9-7-11)14-15(16(19)20)18-10-4-3-5-13(18)17-14/h6-9H,2-5,10H2,1H3,(H,19,20)
InChIKeyATKLZFZPMXVJMI-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.15
Rot. Bonds3

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

2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 82123794) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID82123794
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCc1ccc(-c2nc3n(c2C(=O)O)CCCC3)cc1
InChIInChI=1S/C16H18N2O2/c1-2-11-6-8-12(9-7-11)14-15(16(19)20)18-10-4-3-5-13(18)17-14/h6-9H,2-5,10H2,1H3,(H,19,20)
InChIKeyATKLZFZPMXVJMI-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 82124802
2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 82120163
[2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanamine
CID 82120368
2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 130399044
2-[(2R)-butan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 125451701
2-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82392180
2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82060679
2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 125453760
5-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82120509
7-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82120508
N-[(4-ethylphenyl)methyl]-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-4-yl)acetamide
CID 91908698
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 135194069

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid (CID 82123794) is 2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid is CCc1ccc(-c2nc3n(c2C(=O)O)CCCC3)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is ATKLZFZPMXVJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-11-6-8-12(9-7-11)14-15(16(19)20)18-10-4-3-5-13(18)17-14/h6-9H,2-5,10H2,1H3,(H,19,20).
What are the key properties of 2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 82123794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).