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

C14H16N2O2 — CID 82294206

IUPAC2-[4-(2,5-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
SMILESCc1ccc(C)c(-c2nc(C)[nH]c2CC(=O)O)c1
InChIInChI=1S/C14H16N2O2/c1-8-4-5-9(2)11(6-8)14-12(7-13(17)18)15-10(3)16-14/h4-6H,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyWSQUDODTVKFPLT-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.63
Rot. Bonds3

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

2-[4-(2,5-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid (PubChem CID 82294206) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,5-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
PubChem CID82294206
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[4-(2,5-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
SMILESCc1ccc(C)c(-c2nc(C)[nH]c2CC(=O)O)c1
InChIInChI=1S/C14H16N2O2/c1-8-4-5-9(2)11(6-8)14-12(7-13(17)18)15-10(3)16-14/h4-6H,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyWSQUDODTVKFPLT-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-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82290525
2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 2236513
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82301560
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82306774
2-[4-(2,5-dimethylphenyl)phenyl]acetic acid
CID 82044426
3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylbenzoic acid
CID 90022097
2-[4-bromo-5-(2,5-dimethylphenyl)-2-methylpyrazol-3-yl]acetic acid
CID 84605486
2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 82288567
2-[5-bromo-2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84606694
2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid
CID 117001558
2-[2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 84611862
2-[2-(4-bromoanilino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1339805

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(2,5-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid (CID 82294206) is 2-[4-(2,5-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,5-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(2,5-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid is Cc1ccc(C)c(-c2nc(C)[nH]c2CC(=O)O)c1.
What is the InChIKey of 2-[4-(2,5-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid?
The InChIKey is WSQUDODTVKFPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-4-5-9(2)11(6-8)14-12(7-13(17)18)15-10(3)16-14/h4-6H,7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[4-(2,5-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid?
2-[4-(2,5-dimethylphenyl)-2-methyl-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-(2,5-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid is sourced from PubChem (CID 82294206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).