6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid

C18H18N2O2 — CID 82056508

IUPAC6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1ccc2nc(-c3ccc(C(C)C)cc3)c(C(=O)O)n2c1
InChIInChI=1S/C18H18N2O2/c1-11(2)13-5-7-14(8-6-13)16-17(18(21)22)20-10-12(3)4-9-15(20)19-16/h4-11H,1-3H3,(H,21,22)
InChIKeyFGZRCIGYVBVSNL-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.13
Rot. Bonds3

About 6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid

6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 82056508) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID82056508
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1ccc2nc(-c3ccc(C(C)C)cc3)c(C(=O)O)n2c1
InChIInChI=1S/C18H18N2O2/c1-11(2)13-5-7-14(8-6-13)16-17(18(21)22)20-10-12(3)4-9-15(20)19-16/h4-11H,1-3H3,(H,21,22)
InChIKeyFGZRCIGYVBVSNL-UHFFFAOYSA-N
XLogP4.13
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 82056508) is 6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid is Cc1ccc2nc(-c3ccc(C(C)C)cc3)c(C(=O)O)n2c1.
What is the InChIKey of 6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is FGZRCIGYVBVSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11(2)13-5-7-14(8-6-13)16-17(18(21)22)20-10-12(3)4-9-15(20)19-16/h4-11H,1-3H3,(H,21,22).
What are the key properties of 6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 82056508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).