2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid

C14H16N2O2 — CID 82294212

IUPAC2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid
SMILESCc1ccc(-c2cn(CC(=O)O)c(C)n2)c(C)c1
InChIInChI=1S/C14H16N2O2/c1-9-4-5-12(10(2)6-9)13-7-16(8-14(17)18)11(3)15-13/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeySMUJUYDSWNXTBU-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.56
Rot. Bonds3

About 2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid

2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid (PubChem CID 82294212) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid
PubChem CID82294212
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid
SMILESCc1ccc(-c2cn(CC(=O)O)c(C)n2)c(C)c1
InChIInChI=1S/C14H16N2O2/c1-9-4-5-12(10(2)6-9)13-7-16(8-14(17)18)11(3)15-13/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeySMUJUYDSWNXTBU-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid
CID 82300508
2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid
CID 82305966
2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid
CID 82299632
2-[5-(2,5-dimethylphenyl)-4-methyl-2-oxo-1-pyridinyl]acetic acid
CID 176809246
2-[4-(3-ethyl-4-methoxyphenyl)-2-methylimidazol-1-yl]acetic acid
CID 82306975
4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride
CID 162675687
2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine
CID 2813538
6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227755
N-(2,4-dimethylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178029
2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82120698
2-(2,6-dimethylbenzimidazol-1-yl)acetic acid
CID 84777822
[2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate
CID 67285844

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid (CID 82294212) is 2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid is Cc1ccc(-c2cn(CC(=O)O)c(C)n2)c(C)c1.
What is the InChIKey of 2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid?
The InChIKey is SMUJUYDSWNXTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-4-5-12(10(2)6-9)13-7-16(8-14(17)18)11(3)15-13/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid?
2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid has a molecular weight of 244.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid is sourced from PubChem (CID 82294212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).