2-[1-(2,4,6-trimethylphenyl)imidazol-4-yl]acetic acid

C14H16N2O2 — CID 82478421

IUPAC2-[1-(2,4,6-trimethylphenyl)imidazol-4-yl]acetic acid
SMILESCc1cc(C)c(-n2cnc(CC(=O)O)c2)c(C)c1
InChIInChI=1S/C14H16N2O2/c1-9-4-10(2)14(11(3)5-9)16-7-12(15-8-16)6-13(17)18/h4-5,7-8H,6H2,1-3H3,(H,17,18)
InChIKeyBEACPZFEZJRBMS-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.42
Rot. Bonds3

About 2-[1-(2,4,6-trimethylphenyl)imidazol-4-yl]acetic acid

2-[1-(2,4,6-trimethylphenyl)imidazol-4-yl]acetic acid (PubChem CID 82478421) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[1-(2,4,6-trimethylphenyl)imidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,4,6-trimethylphenyl)imidazol-4-yl]acetic acid
PubChem CID82478421
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[1-(2,4,6-trimethylphenyl)imidazol-4-yl]acetic acid
SMILESCc1cc(C)c(-n2cnc(CC(=O)O)c2)c(C)c1
InChIInChI=1S/C14H16N2O2/c1-9-4-10(2)14(11(3)5-9)16-7-12(15-8-16)6-13(17)18/h4-5,7-8H,6H2,1-3H3,(H,17,18)
InChIKeyBEACPZFEZJRBMS-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

2-[1-(3,4-dimethylphenyl)imidazol-4-yl]acetic acid
CID 82474315
ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate
CID 114203645
2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid
CID 82485425
2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid
CID 82476530
2-[1-(2-fluorophenyl)imidazol-4-yl]acetic acid
CID 82472522
2-(6-methylpyrazolo[1,5-a]pyridin-2-yl)acetic acid
CID 83829453
2-(4,6-dimethyl-2-pyridinyl)acetic acid
CID 23339817
2-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063379
2-[1-(3-methylbutyl)imidazol-4-yl]acetic acid
CID 70036938
2-(7-methylimidazo[1,2-c]pyrimidin-2-yl)acetic acid
CID 82403637
2-[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]acetic acid
CID 82478865
2-[1-[3-(3,5-dimethylphenoxy)propyl]triazol-4-yl]acetic acid
CID 107461459

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4,6-trimethylphenyl)imidazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(2,4,6-trimethylphenyl)imidazol-4-yl]acetic acid (CID 82478421) is 2-[1-(2,4,6-trimethylphenyl)imidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,4,6-trimethylphenyl)imidazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2,4,6-trimethylphenyl)imidazol-4-yl]acetic acid is Cc1cc(C)c(-n2cnc(CC(=O)O)c2)c(C)c1.
What is the InChIKey of 2-[1-(2,4,6-trimethylphenyl)imidazol-4-yl]acetic acid?
The InChIKey is BEACPZFEZJRBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-4-10(2)14(11(3)5-9)16-7-12(15-8-16)6-13(17)18/h4-5,7-8H,6H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(2,4,6-trimethylphenyl)imidazol-4-yl]acetic acid?
2-[1-(2,4,6-trimethylphenyl)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-[1-(2,4,6-trimethylphenyl)imidazol-4-yl]acetic acid is sourced from PubChem (CID 82478421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).