(4-tert-butylphenyl)methyl imidazo[1,2-a]pyridine-2-carboxylate

C19H20N2O2 — CID 7246887

IUPAC(4-tert-butylphenyl)methyl imidazo[1,2-a]pyridine-2-carboxylate
SMILESCC(C)(C)c1ccc(COC(=O)c2cn3ccccc3n2)cc1
InChIInChI=1S/C19H20N2O2/c1-19(2,3)15-9-7-14(8-10-15)13-23-18(22)16-12-21-11-5-4-6-17(21)20-16/h4-12H,13H2,1-3H3
InChIKeyBOTUMAXYCCKTOU-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.99
Rot. Bonds3

About (4-tert-butylphenyl)methyl imidazo[1,2-a]pyridine-2-carboxylate

(4-tert-butylphenyl)methyl imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 7246887) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (4-tert-butylphenyl)methyl imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name(4-tert-butylphenyl)methyl imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID7246887
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(4-tert-butylphenyl)methyl imidazo[1,2-a]pyridine-2-carboxylate
SMILESCC(C)(C)c1ccc(COC(=O)c2cn3ccccc3n2)cc1
InChIInChI=1S/C19H20N2O2/c1-19(2,3)15-9-7-14(8-10-15)13-23-18(22)16-12-21-11-5-4-6-17(21)20-16/h4-12H,13H2,1-3H3
InChIKeyBOTUMAXYCCKTOU-UHFFFAOYSA-N
XLogP3.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate
CID 7246898
[2-(trifluoromethyl)phenyl]methyl imidazo[1,2-a]pyridine-2-carboxylate
CID 7226410
butyl imidazo[1,2-a]pyridine-2-carboxylate
CID 112724658
1-imidazo[1,2-a]pyridin-2-ylethanone
CID 11194486
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226254
N-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 60716999
cyclopropyl imidazo[1,2-a]pyridine-2-carboxylate
CID 165133317
imidazo[1,2-a]pyridine-2-carbonyl chloride
CID 87400951
imidazo[1,2-a]pyridin-2-yl(phenyl)methanone
CID 14601288
(4-tert-butylphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81312491
imidazo[1,2-a]pyridin-2-ylmethyl quinoxaline-2-carboxylate
CID 71944439
N-(aminomethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 66612183

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)methyl imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of (4-tert-butylphenyl)methyl imidazo[1,2-a]pyridine-2-carboxylate (CID 7246887) is (4-tert-butylphenyl)methyl imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for (4-tert-butylphenyl)methyl imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for (4-tert-butylphenyl)methyl imidazo[1,2-a]pyridine-2-carboxylate is CC(C)(C)c1ccc(COC(=O)c2cn3ccccc3n2)cc1.
What is the InChIKey of (4-tert-butylphenyl)methyl imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is BOTUMAXYCCKTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-19(2,3)15-9-7-14(8-10-15)13-23-18(22)16-12-21-11-5-4-6-17(21)20-16/h4-12H,13H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)methyl imidazo[1,2-a]pyridine-2-carboxylate?
(4-tert-butylphenyl)methyl imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)methyl imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 7246887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).