3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid

C15H18N2O2 — CID 82300508

IUPAC3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid
SMILESCc1ccc(-c2cn(CCC(=O)O)c(C)n2)c(C)c1
InChIInChI=1S/C15H18N2O2/c1-10-4-5-13(11(2)8-10)14-9-17(12(3)16-14)7-6-15(18)19/h4-5,8-9H,6-7H2,1-3H3,(H,18,19)
InChIKeyWROGMHHNVIXJNO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.95
Rot. Bonds4

About 3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid

3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid (PubChem CID 82300508) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid
PubChem CID82300508
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid
SMILESCc1ccc(-c2cn(CCC(=O)O)c(C)n2)c(C)c1
InChIInChI=1S/C15H18N2O2/c1-10-4-5-13(11(2)8-10)14-9-17(12(3)16-14)7-6-15(18)19/h4-5,8-9H,6-7H2,1-3H3,(H,18,19)
InChIKeyWROGMHHNVIXJNO-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid
CID 82294212
4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride
CID 162675687
3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54928865
3-[6-(2,4-dimethylphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoyl chloride
CID 82443918
2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine
CID 2813538
4-[5-(2,4-dimethylphenyl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 28896429
6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227755
3-[5-(2,4-dimethylphenyl)-3-oxo-1,4-thiazin-4-yl]propanoic acid
CID 82058283
2-[[5-(2,4-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 79018474
3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid
CID 117264503
3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid
CID 82363949
3-[1-(2,4-dimethylphenyl)triazol-4-yl]propanoic acid
CID 82369444

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid (CID 82300508) is 3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid is Cc1ccc(-c2cn(CCC(=O)O)c(C)n2)c(C)c1.
What is the InChIKey of 3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid?
The InChIKey is WROGMHHNVIXJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-4-5-13(11(2)8-10)14-9-17(12(3)16-14)7-6-15(18)19/h4-5,8-9H,6-7H2,1-3H3,(H,18,19).
What are the key properties of 3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid?
3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid is sourced from PubChem (CID 82300508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).