3-[5-methyl-4-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid

C16H20N2O2 — CID 82488585

IUPAC3-[5-methyl-4-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid
SMILESCc1cc(C)c(-c2nc(CCC(=O)O)[nH]c2C)cc1C
InChIInChI=1S/C16H20N2O2/c1-9-7-11(3)13(8-10(9)2)16-12(4)17-14(18-16)5-6-15(19)20/h7-8H,5-6H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyCPOFRFBRGSYICE-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.33
Rot. Bonds4

About 3-[5-methyl-4-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid

3-[5-methyl-4-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid (PubChem CID 82488585) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[5-methyl-4-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-methyl-4-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid
PubChem CID82488585
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[5-methyl-4-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid
SMILESCc1cc(C)c(-c2nc(CCC(=O)O)[nH]c2C)cc1C
InChIInChI=1S/C16H20N2O2/c1-9-7-11(3)13(8-10(9)2)16-12(4)17-14(18-16)5-6-15(19)20/h7-8H,5-6H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyCPOFRFBRGSYICE-UHFFFAOYSA-N
XLogP3.33
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 82478385
3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid
CID 82474293
3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid
CID 84611925
3-[5-bromo-4-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 84611260
3-[5-bromo-4-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 84611926
3-[2-methyl-5-(2,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propanoic acid
CID 82488819
5-[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]-2,4-dimethylbenzoic acid;methane;methyl 5-[2-(methoxymethyl)-5-methyl-1H-imidazol-4-yl]-2,4-dimethylbenzoate
CID 158830066
2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82294241
3-(4-chloro-6-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 84629228
3-[3-(2,5-dimethylphenyl)-1H-1,2,4-triazol-5-yl]propanoic acid
CID 82478918
2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82483196
2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 96669273

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-4-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-methyl-4-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid (CID 82488585) is 3-[5-methyl-4-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-methyl-4-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-methyl-4-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid is Cc1cc(C)c(-c2nc(CCC(=O)O)[nH]c2C)cc1C.
What is the InChIKey of 3-[5-methyl-4-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid?
The InChIKey is CPOFRFBRGSYICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-9-7-11(3)13(8-10(9)2)16-12(4)17-14(18-16)5-6-15(19)20/h7-8H,5-6H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 3-[5-methyl-4-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid?
3-[5-methyl-4-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid has a molecular weight of 272.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-4-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid is sourced from PubChem (CID 82488585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).