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

C16H18N2O2 — CID 83966422

IUPAC3-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCc1ccc(-c2nc3n(c2C)CCC(C(=O)O)C3)cc1
InChIInChI=1S/C16H18N2O2/c1-10-3-5-12(6-4-10)15-11(2)18-8-7-13(16(19)20)9-14(18)17-15/h3-6,13H,7-9H2,1-2H3,(H,19,20)
InChIKeyUYAQQECXBGFHGQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.81
Rot. Bonds2

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

3-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 83966422) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID83966422
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCc1ccc(-c2nc3n(c2C)CCC(C(=O)O)C3)cc1
InChIInChI=1S/C16H18N2O2/c1-10-3-5-12(6-4-10)15-11(2)18-8-7-13(16(19)20)9-14(18)17-15/h3-6,13H,7-9H2,1-2H3,(H,19,20)
InChIKeyUYAQQECXBGFHGQ-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84610277
2-(3,4-dimethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 83966438
2-(4-ethoxyphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 83966445
3-bromo-1-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84611804
3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 83867907
2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride
CID 126796985
1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117249395
7-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82120508
2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 83965348
3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 83636150
5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,7-dicarboxylic acid
CID 83966379
1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3879435

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid (CID 83966422) is 3-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid is Cc1ccc(-c2nc3n(c2C)CCC(C(=O)O)C3)cc1.
What is the InChIKey of 3-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is UYAQQECXBGFHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-3-5-12(6-4-10)15-11(2)18-8-7-13(16(19)20)9-14(18)17-15/h3-6,13H,7-9H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
3-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 83966422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).