6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid

C17H16N2O2 — CID 158398698

IUPAC6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCc1ccc(CCc2ccc3nccn3c2C(=O)O)cc1
InChIInChI=1S/C17H16N2O2/c1-12-2-4-13(5-3-12)6-7-14-8-9-15-18-10-11-19(15)16(14)17(20)21/h2-5,8-11H,6-7H2,1H3,(H,20,21)
InChIKeyNMQITVHABQHKAR-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.13
Rot. Bonds4

About 6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid

6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 158398698) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID158398698
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCc1ccc(CCc2ccc3nccn3c2C(=O)O)cc1
InChIInChI=1S/C17H16N2O2/c1-12-2-4-13(5-3-12)6-7-14-8-9-15-18-10-11-19(15)16(14)17(20)21/h2-5,8-11H,6-7H2,1H3,(H,20,21)
InChIKeyNMQITVHABQHKAR-UHFFFAOYSA-N
XLogP3.13
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Miroprofen
CID 68752
3-((2'-Carboxybiphenyl-4-yl)methyl)-2-cyclopropyl-7-methyl-3H-imidazo(4,5-b)pyridine
CID 131857
Zolpidem carboxylic acid
CID 11966044
Ethyl 2-(4-methylphenyl)-alpha-oxoimidazo(1,2-a)pyridine-3-acetate
CID 4962038
4-[[2-butyl-5-[(E)-2-carboxyhex-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952957
4-[[2-butyl-5-[(E)-2-carboxy-3-phenylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952959
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
1h-Pyrrolo[2,3-b]pyridine-6-carboxylic acid,3-cyclohexyl-1-methyl-2-phenyl-
CID 514293
3-Cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]-2-phenyl-pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 16072895
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 158398698) is 6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid is Cc1ccc(CCc2ccc3nccn3c2C(=O)O)cc1.
What is the InChIKey of 6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is NMQITVHABQHKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-2-4-13(5-3-12)6-7-14-8-9-15-18-10-11-19(15)16(14)17(20)21/h2-5,8-11H,6-7H2,1H3,(H,20,21).
What are the key properties of 6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 158398698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).