2-[(2,6-dimethylphenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid

C18H18N2O3 — CID 94968837

IUPAC2-[(2,6-dimethylphenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cccc(C)c1OCc1nc2c(C)cccn2c1C(=O)O
InChIInChI=1S/C18H18N2O3/c1-11-6-4-7-12(2)16(11)23-10-14-15(18(21)22)20-9-5-8-13(3)17(20)19-14/h4-9H,10H2,1-3H3,(H,21,22)
InChIKeyQQZJXZISFQBKEZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.54
Rot. Bonds4

About 2-[(2,6-dimethylphenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid

2-[(2,6-dimethylphenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 94968837) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylphenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID94968837
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[(2,6-dimethylphenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cccc(C)c1OCc1nc2c(C)cccn2c1C(=O)O
InChIInChI=1S/C18H18N2O3/c1-11-6-4-7-12(2)16(11)23-10-14-15(18(21)22)20-9-5-8-13(3)17(20)19-14/h4-9H,10H2,1-3H3,(H,21,22)
InChIKeyQQZJXZISFQBKEZ-UHFFFAOYSA-N
XLogP3.54
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 94968829
2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2736259
2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 79015469
N,2-diethyl-N,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 123774406
8-[(2,6-dimethylphenoxy)methyl]-2,3-dimethylimidazo[1,2-a]pyridine
CID 22672638
(2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid
CID 104876351
4-[(2,6-dimethylphenoxy)methyl]-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226948
2-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 82032871
2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851565
2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82225553
3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid
CID 39186541
8-methyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82529082

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2,6-dimethylphenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 94968837) is 2-[(2,6-dimethylphenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2,6-dimethylphenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2,6-dimethylphenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid is Cc1cccc(C)c1OCc1nc2c(C)cccn2c1C(=O)O.
What is the InChIKey of 2-[(2,6-dimethylphenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is QQZJXZISFQBKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-6-4-7-12(2)16(11)23-10-14-15(18(21)22)20-9-5-8-13(3)17(20)19-14/h4-9H,10H2,1-3H3,(H,21,22).
What are the key properties of 2-[(2,6-dimethylphenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
2-[(2,6-dimethylphenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 94968837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).