8-(2-methylprop-2-enoxy)-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid

C18H16N2O3 — CID 93203846

IUPAC8-(2-methylprop-2-enoxy)-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESC=C(C)COc1cccn2c(C(=O)O)c(-c3ccccc3)nc12
InChIInChI=1S/C18H16N2O3/c1-12(2)11-23-14-9-6-10-20-16(18(21)22)15(19-17(14)20)13-7-4-3-5-8-13/h3-10H,1,11H2,2H3,(H,21,22)
InChIKeyDIUJGKKYTXNTDQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.65
Rot. Bonds5

About 8-(2-methylprop-2-enoxy)-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid

8-(2-methylprop-2-enoxy)-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 93203846) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 8-(2-methylprop-2-enoxy)-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-(2-methylprop-2-enoxy)-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID93203846
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name8-(2-methylprop-2-enoxy)-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESC=C(C)COc1cccn2c(C(=O)O)c(-c3ccccc3)nc12
InChIInChI=1S/C18H16N2O3/c1-12(2)11-23-14-9-6-10-20-16(18(21)22)15(19-17(14)20)13-7-4-3-5-8-13/h3-10H,1,11H2,2H3,(H,21,22)
InChIKeyDIUJGKKYTXNTDQ-UHFFFAOYSA-N
XLogP3.65
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82055750
2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82055757
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
1-(2-methylprop-2-enoxy)-2-phenylbenzene
CID 70267118
8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride
CID 90072983
2-[8-(cyanomethoxy)-2-phenylimidazo[1,2-a]pyridin-3-yl]acetic acid
CID 94823631
8-methoxy-2-propan-2-ylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 115405192
3-methyl-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;hydrochloride
CID 52983714
2-(2-fluorophenoxy)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 40656268
8-(cyclohexylmethoxy)-2-propylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 90132429
2,2,2-trifluoroethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 137355339
ethyl 2-[(2-phenyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 42738205

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylprop-2-enoxy)-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 8-(2-methylprop-2-enoxy)-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 93203846) is 8-(2-methylprop-2-enoxy)-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 8-(2-methylprop-2-enoxy)-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 8-(2-methylprop-2-enoxy)-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid is C=C(C)COc1cccn2c(C(=O)O)c(-c3ccccc3)nc12.
What is the InChIKey of 8-(2-methylprop-2-enoxy)-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is DIUJGKKYTXNTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(2)11-23-14-9-6-10-20-16(18(21)22)15(19-17(14)20)13-7-4-3-5-8-13/h3-10H,1,11H2,2H3,(H,21,22).
What are the key properties of 8-(2-methylprop-2-enoxy)-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
8-(2-methylprop-2-enoxy)-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylprop-2-enoxy)-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 93203846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).