2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid

C14H16N2O2 — CID 82294241

IUPAC2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid
SMILESCc1cc(C)c(-c2nc[nH]c2CC(=O)O)cc1C
InChIInChI=1S/C14H16N2O2/c1-8-4-10(3)11(5-9(8)2)14-12(6-13(17)18)15-7-16-14/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeySEVWKHFFYOYVME-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.63
Rot. Bonds3

About 2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid

2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid (PubChem CID 82294241) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid
PubChem CID82294241
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid
SMILESCc1cc(C)c(-c2nc[nH]c2CC(=O)O)cc1C
InChIInChI=1S/C14H16N2O2/c1-8-4-10(3)11(5-9(8)2)14-12(6-13(17)18)15-7-16-14/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeySEVWKHFFYOYVME-UHFFFAOYSA-N
XLogP2.63
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82301640
2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
CID 82304592
2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid
CID 82299158
3-[5-methyl-4-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 82488585
2-[4-bromo-3-(2-methoxy-4,5-dimethylphenyl)-1H-pyrazol-5-yl]acetic acid
CID 84611874
2-[2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 84611862
2-[4-(2,5-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82294206
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid
CID 82477709
2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82301593
2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 135767357
5-[2-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole-4-carboxylic acid
CID 82378006

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid (CID 82294241) is 2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid is Cc1cc(C)c(-c2nc[nH]c2CC(=O)O)cc1C.
What is the InChIKey of 2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid?
The InChIKey is SEVWKHFFYOYVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-4-10(3)11(5-9(8)2)14-12(6-13(17)18)15-7-16-14/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid?
2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid has a molecular weight of 244.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid is sourced from PubChem (CID 82294241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).