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

C14H16N2O3 — CID 82301524

IUPAC3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
SMILESCOc1ccccc1-c1nc(CCC(=O)O)c(C)[nH]1
InChIInChI=1S/C14H16N2O3/c1-9-11(7-8-13(17)18)16-14(15-9)10-5-3-4-6-12(10)19-2/h3-6H,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyOHOAVNBXFIXOAC-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.41
Rot. Bonds5

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

3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid (PubChem CID 82301524) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
PubChem CID82301524
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
SMILESCOc1ccccc1-c1nc(CCC(=O)O)c(C)[nH]1
InChIInChI=1S/C14H16N2O3/c1-9-11(7-8-13(17)18)16-14(15-9)10-5-3-4-6-12(10)19-2/h3-6H,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyOHOAVNBXFIXOAC-UHFFFAOYSA-N
XLogP2.41
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanamine
CID 82289193
3-[2-(2-methoxyphenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoic acid
CID 135973589
3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82301525
methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445134
2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid
CID 121001392
2-[2-(2-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
CID 82289480
3-[2-(4-ethylphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82300460
3-[5-(2-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 82485015
3-[4-bromo-5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]propanoic acid
CID 84611903
3-[2-amino-5-(2-methoxyphenyl)-1H-pyrrol-3-yl]propanoic acid
CID 54472162
3-[5-(2-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid
CID 82302130
methyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate
CID 43445130

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid (CID 82301524) is 3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid is COc1ccccc1-c1nc(CCC(=O)O)c(C)[nH]1.
What is the InChIKey of 3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid?
The InChIKey is OHOAVNBXFIXOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-11(7-8-13(17)18)16-14(15-9)10-5-3-4-6-12(10)19-2/h3-6H,7-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid?
3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid is sourced from PubChem (CID 82301524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).