2,5-dimethyl-3-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid

C15H18N2O2 — CID 82300567

IUPAC2,5-dimethyl-3-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid
SMILESCc1cc(C)c(-n2c(C)nc(C)c2C(=O)O)c(C)c1
InChIInChI=1S/C15H18N2O2/c1-8-6-9(2)13(10(3)7-8)17-12(5)16-11(4)14(17)15(18)19/h6-7H,1-5H3,(H,18,19)
InChIKeyVRVBUSSQRKPLQO-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.11
Rot. Bonds2

About 2,5-dimethyl-3-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid

2,5-dimethyl-3-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid (PubChem CID 82300567) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,5-dimethyl-3-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-3-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid
PubChem CID82300567
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2,5-dimethyl-3-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid
SMILESCc1cc(C)c(-n2c(C)nc(C)c2C(=O)O)c(C)c1
InChIInChI=1S/C15H18N2O2/c1-8-6-9(2)13(10(3)7-8)17-12(5)16-11(4)14(17)15(18)19/h6-7H,1-5H3,(H,18,19)
InChIKeyVRVBUSSQRKPLQO-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82294279
3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82308012
3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82294284
3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 95478982
4-methyl-3-(2,4,5-trimethylimidazol-1-yl)benzoic acid
CID 82513508
2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazole-4-carboxylic acid
CID 66835384
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
8-chloro-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82473381
2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2736259
2-methylimidazo[1,2-d][1,2,4]triazine-3-carboxylic acid
CID 82410194
3-[(4-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid
CID 82296233
7-(2-amino-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 141121374

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid?
The IUPAC name of 2,5-dimethyl-3-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid (CID 82300567) is 2,5-dimethyl-3-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-3-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-3-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid is Cc1cc(C)c(-n2c(C)nc(C)c2C(=O)O)c(C)c1.
What is the InChIKey of 2,5-dimethyl-3-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid?
The InChIKey is VRVBUSSQRKPLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-8-6-9(2)13(10(3)7-8)17-12(5)16-11(4)14(17)15(18)19/h6-7H,1-5H3,(H,18,19).
What are the key properties of 2,5-dimethyl-3-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid?
2,5-dimethyl-3-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 82300567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).