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

C14H16N2O2 — CID 82294279

IUPAC3-(2,5-dimethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
SMILESCc1ccc(C)c(-n2c(C)nc(C)c2C(=O)O)c1
InChIInChI=1S/C14H16N2O2/c1-8-5-6-9(2)12(7-8)16-11(4)15-10(3)13(16)14(17)18/h5-7H,1-4H3,(H,17,18)
InChIKeyXFWAJMONTGLDHN-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.80
Rot. Bonds2

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

3-(2,5-dimethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid (PubChem CID 82294279) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
PubChem CID82294279
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(2,5-dimethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
SMILESCc1ccc(C)c(-n2c(C)nc(C)c2C(=O)O)c1
InChIInChI=1S/C14H16N2O2/c1-8-5-6-9(2)12(7-8)16-11(4)15-10(3)13(16)14(17)18/h5-7H,1-4H3,(H,17,18)
InChIKeyXFWAJMONTGLDHN-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(2,4,5-trimethylimidazol-1-yl)benzoic acid
CID 82513508
2,5-dimethyl-3-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid
CID 82300567
3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82294284
3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82308012
1-(2,5-dimethylphenyl)-5-phenyltriazole-4-carboxylic acid
CID 82201268
1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946695
3-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82770415
1-(2-bromo-5-methylphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 82766112
1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154905
4-bromo-1-(2,5-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 55038033
2-(2,5-dimethylphenyl)-4,5-dimethyltriazole
CID 54146141
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
CID 71511296

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid?
The IUPAC name of 3-(2,5-dimethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid (CID 82294279) is 3-(2,5-dimethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid?
The canonical SMILES for 3-(2,5-dimethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid is Cc1ccc(C)c(-n2c(C)nc(C)c2C(=O)O)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid?
The InChIKey is XFWAJMONTGLDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-5-6-9(2)12(7-8)16-11(4)15-10(3)13(16)14(17)18/h5-7H,1-4H3,(H,17,18).
What are the key properties of 3-(2,5-dimethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid?
3-(2,5-dimethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid is sourced from PubChem (CID 82294279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).