3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid

C16H14N2O3 — CID 60698887

IUPAC3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1OCc1cn2ccccc2n1
InChIInChI=1S/C16H14N2O3/c1-11-5-6-12(16(19)20)8-14(11)21-10-13-9-18-7-3-2-4-15(18)17-13/h2-9H,10H2,1H3,(H,19,20)
InChIKeyYBLMAJXWSKIYHZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.92
Rot. Bonds4

About 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid (PubChem CID 60698887) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid
PubChem CID60698887
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1OCc1cn2ccccc2n1
InChIInChI=1S/C16H14N2O3/c1-11-5-6-12(16(19)20)8-14(11)21-10-13-9-18-7-3-2-4-15(18)17-13/h2-9H,10H2,1H3,(H,19,20)
InChIKeyYBLMAJXWSKIYHZ-UHFFFAOYSA-N
XLogP2.92
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile
CID 103760082
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-methylbenzoic acid
CID 82810212
2-[(2-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117256132
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyridine-4-carboxylic acid
CID 81445806
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 7063876
2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 7433386
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
2-[(2-bromo-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 28602482
2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 170746842
ethyl 4-[[2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoate
CID 18288936
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 25492533

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid (CID 60698887) is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1OCc1cn2ccccc2n1.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid?
The InChIKey is YBLMAJXWSKIYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-11-5-6-12(16(19)20)8-14(11)21-10-13-9-18-7-3-2-4-15(18)17-13/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid?
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid is sourced from PubChem (CID 60698887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).