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

C16H14N2O3 — CID 82810212

IUPAC3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-methylbenzoic acid
SMILESCc1c(OCc2cn3ccccc3n2)cccc1C(=O)O
InChIInChI=1S/C16H14N2O3/c1-11-13(16(19)20)5-4-6-14(11)21-10-12-9-18-8-3-2-7-15(18)17-12/h2-9H,10H2,1H3,(H,19,20)
InChIKeyCWTKXJWCRXFLHR-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.92
Rot. Bonds4

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

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-methylbenzoic acid (PubChem CID 82810212) 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)-2-methylbenzoic acid.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-methylbenzoic acid
PubChem CID82810212
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-methylbenzoic acid
SMILESCc1c(OCc2cn3ccccc3n2)cccc1C(=O)O
InChIInChI=1S/C16H14N2O3/c1-11-13(16(19)20)5-4-6-14(11)21-10-12-9-18-8-3-2-7-15(18)17-12/h2-9H,10H2,1H3,(H,19,20)
InChIKeyCWTKXJWCRXFLHR-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-methylbenzoic acid
CID 60698887
3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid
CID 61391322
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyridine-4-carboxylic acid
CID 81445806
2-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(4-phenoxyphenyl)benzamide
CID 18274448
ethyl 4-[[2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoate
CID 18288936
2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarboximidamide
CID 24695598
N-(4-bromo-3-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 18266560
N-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 18096051
[2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-(1,4,5-oxadiazepan-4-yl)methanone
CID 155952840
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
CID 82827376
(1R)-1-[2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propan-1-ol
CID 78933268

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-methylbenzoic acid?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-methylbenzoic acid (CID 82810212) is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-methylbenzoic acid.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-methylbenzoic acid?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-methylbenzoic acid is Cc1c(OCc2cn3ccccc3n2)cccc1C(=O)O.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-methylbenzoic acid?
The InChIKey is CWTKXJWCRXFLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-11-13(16(19)20)5-4-6-14(11)21-10-12-9-18-8-3-2-7-15(18)17-12/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-methylbenzoic acid?
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-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)-2-methylbenzoic acid is sourced from PubChem (CID 82810212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).