2-(2,4,6-trimethyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid

C12H13N3O2 — CID 141021578

IUPAC2-(2,4,6-trimethyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid
SMILESCc1cc(C)c(-c2ncc(C(=O)O)[nH]2)c(C)n1
InChIInChI=1S/C12H13N3O2/c1-6-4-7(2)14-8(3)10(6)11-13-5-9(15-11)12(16)17/h4-5H,1-3H3,(H,13,15)(H,16,17)
InChIKeyQYWJWYKGZDBVLA-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.10
Rot. Bonds2

About 2-(2,4,6-trimethyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid

2-(2,4,6-trimethyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid (PubChem CID 141021578) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(2,4,6-trimethyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,4,6-trimethyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid
PubChem CID141021578
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(2,4,6-trimethyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid
SMILESCc1cc(C)c(-c2ncc(C(=O)O)[nH]2)c(C)n1
InChIInChI=1S/C12H13N3O2/c1-6-4-7(2)14-8(3)10(6)11-13-5-9(15-11)12(16)17/h4-5H,1-3H3,(H,13,15)(H,16,17)
InChIKeyQYWJWYKGZDBVLA-UHFFFAOYSA-N
XLogP2.10
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid
CID 96605840
2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62252679
2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid
CID 130697506
2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid
CID 62252489
2-(1,4-dimethylpyrazol-5-yl)-1H-imidazole-5-carboxylic acid
CID 137229426
2-methyl-1H-imidazole-5-carboxylic acid;dihydrate
CID 69419539
2-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62250258
2-phenyl-1H-imidazole-5-carboxylic acid;hydrate
CID 2738138
2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
CID 82387535
2-(4-bromo-5-chlorothiophen-2-yl)-1H-imidazole-5-carboxylic acid
CID 102844260
2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid
CID 107125453
2-thiophen-2-yl-1H-imidazole-5-carboxylic acid
CID 62252826

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(2,4,6-trimethyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid (CID 141021578) is 2-(2,4,6-trimethyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,4,6-trimethyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(2,4,6-trimethyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid is Cc1cc(C)c(-c2ncc(C(=O)O)[nH]2)c(C)n1.
What is the InChIKey of 2-(2,4,6-trimethyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is QYWJWYKGZDBVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-6-4-7(2)14-8(3)10(6)11-13-5-9(15-11)12(16)17/h4-5H,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 2-(2,4,6-trimethyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid?
2-(2,4,6-trimethyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 141021578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).