2-[2,5-dimethyl-3-(4-methylphenyl)imidazol-4-yl]acetic acid

C14H16N2O2 — CID 82294296

IUPAC2-[2,5-dimethyl-3-(4-methylphenyl)imidazol-4-yl]acetic acid
SMILESCc1ccc(-n2c(C)nc(C)c2CC(=O)O)cc1
InChIInChI=1S/C14H16N2O2/c1-9-4-6-12(7-5-9)16-11(3)15-10(2)13(16)8-14(17)18/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyZZVHJXNBQVEJEA-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.42
Rot. Bonds3

About 2-[2,5-dimethyl-3-(4-methylphenyl)imidazol-4-yl]acetic acid

2-[2,5-dimethyl-3-(4-methylphenyl)imidazol-4-yl]acetic acid (PubChem CID 82294296) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[2,5-dimethyl-3-(4-methylphenyl)imidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2,5-dimethyl-3-(4-methylphenyl)imidazol-4-yl]acetic acid
PubChem CID82294296
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[2,5-dimethyl-3-(4-methylphenyl)imidazol-4-yl]acetic acid
SMILESCc1ccc(-n2c(C)nc(C)c2CC(=O)O)cc1
InChIInChI=1S/C14H16N2O2/c1-9-4-6-12(7-5-9)16-11(3)15-10(2)13(16)8-14(17)18/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyZZVHJXNBQVEJEA-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2,4,5-trimethylimidazol-1-yl)phenyl]butanoic acid
CID 82514538
2-[5-bromo-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 116817944
3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82297670
3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82294284
2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 115040037
2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 117124290
ethane;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 143742261
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride
CID 74889750
ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate
CID 164852991
2-[2-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]acetic acid
CID 82483970
2-[1-(4-bromophenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43145217
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethyl-3-(4-methylphenyl)imidazol-4-yl]acetic acid?
The IUPAC name of 2-[2,5-dimethyl-3-(4-methylphenyl)imidazol-4-yl]acetic acid (CID 82294296) is 2-[2,5-dimethyl-3-(4-methylphenyl)imidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2,5-dimethyl-3-(4-methylphenyl)imidazol-4-yl]acetic acid?
The canonical SMILES for 2-[2,5-dimethyl-3-(4-methylphenyl)imidazol-4-yl]acetic acid is Cc1ccc(-n2c(C)nc(C)c2CC(=O)O)cc1.
What is the InChIKey of 2-[2,5-dimethyl-3-(4-methylphenyl)imidazol-4-yl]acetic acid?
The InChIKey is ZZVHJXNBQVEJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-4-6-12(7-5-9)16-11(3)15-10(2)13(16)8-14(17)18/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[2,5-dimethyl-3-(4-methylphenyl)imidazol-4-yl]acetic acid?
2-[2,5-dimethyl-3-(4-methylphenyl)imidazol-4-yl]acetic acid has a molecular weight of 244.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethyl-3-(4-methylphenyl)imidazol-4-yl]acetic acid is sourced from PubChem (CID 82294296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).