3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid

C14H16N2O2 — CID 82294284

IUPAC3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
SMILESCCc1ccccc1-n1c(C)nc(C)c1C(=O)O
InChIInChI=1S/C14H16N2O2/c1-4-11-7-5-6-8-12(11)16-10(3)15-9(2)13(16)14(17)18/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyLLNZGVDHDOUUCJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.75
Rot. Bonds3

About 3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid

3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid (PubChem CID 82294284) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
PubChem CID82294284
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
SMILESCCc1ccccc1-n1c(C)nc(C)c1C(=O)O
InChIInChI=1S/C14H16N2O2/c1-4-11-7-5-6-8-12(11)16-10(3)15-9(2)13(16)14(17)18/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyLLNZGVDHDOUUCJ-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzylimidazole-4,5-dicarboxylic acid
CID 170616
5-Methyl-2-phenyl-1H-imidazole-4-carboxylic acid
CID 120065
5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylic acid
CID 52943237
1-benzyl-5-methyl-1H-imidazole-4-carboxylic acid
CID 53896861
2,5-dimethyl-1-phenyl-1H-imidazole-4-carboxylic acid
CID 54579222
2-(3-Cyanophenyl)-3-hydroxy-5-methylimidazole-4-carboxylic acid
CID 163204245
2-Methyl-3-(1-phenylethyl)imidazole-4-carboxylic acid
CID 303176
4-chloro-1-(2-methylphenyl)-1H-imidazole-5-carboxylic acid
CID 45911902
2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 25219132
5-ethyl-2-phenyl-1H-imidazole-4-carboxylic acid
CID 43445069
1-(p-Tolyl)-1H-imidazole-4-carboxylicacid
CID 23445090
Ethyl 2-(3-aminophenyl)-1,5-dimethylimidazole-4-carboxylate
CID 136558841

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid?
The IUPAC name of 3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid (CID 82294284) is 3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid?
The canonical SMILES for 3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid is CCc1ccccc1-n1c(C)nc(C)c1C(=O)O.
What is the InChIKey of 3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid?
The InChIKey is LLNZGVDHDOUUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-11-7-5-6-8-12(11)16-10(3)15-9(2)13(16)14(17)18/h5-8H,4H2,1-3H3,(H,17,18).
What are the key properties of 3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid?
3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid is sourced from PubChem (CID 82294284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).