2-(4-tert-butyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-ethylpyridine-3-carboxylic acid

C16H21N3O3 — CID 169437618

IUPAC2-(4-tert-butyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-ethylpyridine-3-carboxylic acid
SMILESCCc1cnc(C2=NC(C)(C(C)(C)C)C(=O)N2)c(C(=O)O)c1
InChIInChI=1S/C16H21N3O3/c1-6-9-7-10(13(20)21)11(17-8-9)12-18-14(22)16(5,19-12)15(2,3)4/h7-8H,6H2,1-5H3,(H,20,21)(H,18,19,22)
InChIKeyVONWKUYAVRKZQX-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.02
Rot. Bonds3

About 2-(4-tert-butyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-ethylpyridine-3-carboxylic acid

2-(4-tert-butyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-ethylpyridine-3-carboxylic acid (PubChem CID 169437618) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(4-tert-butyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-ethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-tert-butyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-ethylpyridine-3-carboxylic acid
PubChem CID169437618
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-(4-tert-butyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-ethylpyridine-3-carboxylic acid
SMILESCCc1cnc(C2=NC(C)(C(C)(C)C)C(=O)N2)c(C(=O)O)c1
InChIInChI=1S/C16H21N3O3/c1-6-9-7-10(13(20)21)11(17-8-9)12-18-14(22)16(5,19-12)15(2,3)4/h7-8H,6H2,1-5H3,(H,20,21)(H,18,19,22)
InChIKeyVONWKUYAVRKZQX-UHFFFAOYSA-N
XLogP2.02
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-ethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(4-tert-butyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-ethylpyridine-3-carboxylic acid (CID 169437618) is 2-(4-tert-butyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-ethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-tert-butyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-ethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-tert-butyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-ethylpyridine-3-carboxylic acid is CCc1cnc(C2=NC(C)(C(C)(C)C)C(=O)N2)c(C(=O)O)c1.
What is the InChIKey of 2-(4-tert-butyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-ethylpyridine-3-carboxylic acid?
The InChIKey is VONWKUYAVRKZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-6-9-7-10(13(20)21)11(17-8-9)12-18-14(22)16(5,19-12)15(2,3)4/h7-8H,6H2,1-5H3,(H,20,21)(H,18,19,22).
What are the key properties of 2-(4-tert-butyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-ethylpyridine-3-carboxylic acid?
2-(4-tert-butyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-ethylpyridine-3-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-ethylpyridine-3-carboxylic acid is sourced from PubChem (CID 169437618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).