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

C15H18N2O2 — CID 116878702

IUPAC2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
SMILESCc1ccc(-c2cnc(C(C)(C)C(=O)O)[nH]2)c(C)c1
InChIInChI=1S/C15H18N2O2/c1-9-5-6-11(10(2)7-9)12-8-16-13(17-12)15(3,4)14(18)19/h5-8H,1-4H3,(H,16,17)(H,18,19)
InChIKeyOBJMWYKGICYEIV-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.06
Rot. Bonds3

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

2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid (PubChem CID 116878702) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
PubChem CID116878702
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
SMILESCc1ccc(-c2cnc(C(C)(C)C(=O)O)[nH]2)c(C)c1
InChIInChI=1S/C15H18N2O2/c1-9-5-6-11(10(2)7-9)12-8-16-13(17-12)15(3,4)14(18)19/h5-8H,1-4H3,(H,16,17)(H,18,19)
InChIKeyOBJMWYKGICYEIV-UHFFFAOYSA-N
XLogP3.06
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878708
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878701
1-cyclopropyl-1-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]ethanamine
CID 60865963
2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid
CID 116878722
methyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate
CID 116880482
2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 83857711
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882858
2-[2-(2,4-dimethylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid
CID 82478341
1-cyclopropyl-1-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine
CID 60866141
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651179
2-methyl-5-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzoic acid
CID 115050372

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid (CID 116878702) is 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid is Cc1ccc(-c2cnc(C(C)(C)C(=O)O)[nH]2)c(C)c1.
What is the InChIKey of 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid?
The InChIKey is OBJMWYKGICYEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-5-6-11(10(2)7-9)12-8-16-13(17-12)15(3,4)14(18)19/h5-8H,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid?
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid has a molecular weight of 258.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid is sourced from PubChem (CID 116878702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).