8-[(4-propan-2-ylphenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylic acid

C18H18N2O3 — CID 82055681

IUPAC8-[(4-propan-2-ylphenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)c1ccc(COc2cccn3cc(C(=O)O)nc23)cc1
InChIInChI=1S/C18H18N2O3/c1-12(2)14-7-5-13(6-8-14)11-23-16-4-3-9-20-10-15(18(21)22)19-17(16)20/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyQRLKKKBACPICHV-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.73
Rot. Bonds5

About 8-[(4-propan-2-ylphenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylic acid

8-[(4-propan-2-ylphenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 82055681) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 8-[(4-propan-2-ylphenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-[(4-propan-2-ylphenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID82055681
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name8-[(4-propan-2-ylphenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)c1ccc(COc2cccn3cc(C(=O)O)nc23)cc1
InChIInChI=1S/C18H18N2O3/c1-12(2)14-7-5-13(6-8-14)11-23-16-4-3-9-20-10-15(18(21)22)19-17(16)20/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyQRLKKKBACPICHV-UHFFFAOYSA-N
XLogP3.73
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82055693
8-(2-oxo-2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82055667
[8-[(4-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-2-yl]methanol
CID 70511743
(8-phenylmethoxyimidazo[1,2-a]pyridin-2-yl)methanamine
CID 82055890
6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 68615554
[2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid
CID 43327841
4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid
CID 107014367
2-[(4-propan-2-ylphenyl)methoxy]benzoic acid;(4-propan-2-ylphenyl)methyl 2-hydroxybenzoate
CID 158933022
2-[8-[(3-fluorophenyl)methoxy]imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82055665
2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 57261502
4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 7101920
N-[1-(4-ethoxyphenyl)ethyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 87051393

Frequently Asked Questions

What is the IUPAC name of 8-[(4-propan-2-ylphenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 8-[(4-propan-2-ylphenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 82055681) is 8-[(4-propan-2-ylphenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 8-[(4-propan-2-ylphenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 8-[(4-propan-2-ylphenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylic acid is CC(C)c1ccc(COc2cccn3cc(C(=O)O)nc23)cc1.
What is the InChIKey of 8-[(4-propan-2-ylphenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is QRLKKKBACPICHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12(2)14-7-5-13(6-8-14)11-23-16-4-3-9-20-10-15(18(21)22)19-17(16)20/h3-10,12H,11H2,1-2H3,(H,21,22).
What are the key properties of 8-[(4-propan-2-ylphenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylic acid?
8-[(4-propan-2-ylphenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-propan-2-ylphenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 82055681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).