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

C14H16N2O3 — CID 25163040

IUPAC3-[4-(4-methoxyphenyl)-2-methylimidazol-1-yl]propanoic acid
SMILESCOc1ccc(-c2cn(CCC(=O)O)c(C)n2)cc1
InChIInChI=1S/C14H16N2O3/c1-10-15-13(9-16(10)8-7-14(17)18)11-3-5-12(19-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyAAFYALRCZZHOMI-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.34
Rot. Bonds5

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

3-[4-(4-methoxyphenyl)-2-methylimidazol-1-yl]propanoic acid (PubChem CID 25163040) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)-2-methylimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)-2-methylimidazol-1-yl]propanoic acid
PubChem CID25163040
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[4-(4-methoxyphenyl)-2-methylimidazol-1-yl]propanoic acid
SMILESCOc1ccc(-c2cn(CCC(=O)O)c(C)n2)cc1
InChIInChI=1S/C14H16N2O3/c1-10-15-13(9-16(10)8-7-14(17)18)11-3-5-12(19-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyAAFYALRCZZHOMI-UHFFFAOYSA-N
XLogP2.34
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
5-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 1132944
5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1H-imidazole
CID 6539900
1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole
CID 45103811
2-(4-(4-(Trifluoromethoxy)phenyl)-1H-imidazol-2-yl)propan-2-amine
CID 65459349
2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-5,6,7,8-tetrahydro-imidazo[1,2-a]pyridine
CID 9840856
(E)-4-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hex-4-enoic acid
CID 126752344
(R)-3-methyl-6-(2-((5-methyl-2-(4-(trifluoromethoxy)phenyl)-1H-imidazol-1-yl)methyl)phenoxy)hexanoic acid
CID 126752361
(2-Isopropyl-3-methyl-3H-imidazol-4-yl)-(3-methoxy-phenyl)-methanol
CID 3140480

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)-2-methylimidazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(4-methoxyphenyl)-2-methylimidazol-1-yl]propanoic acid (CID 25163040) is 3-[4-(4-methoxyphenyl)-2-methylimidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)-2-methylimidazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-methoxyphenyl)-2-methylimidazol-1-yl]propanoic acid is COc1ccc(-c2cn(CCC(=O)O)c(C)n2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)-2-methylimidazol-1-yl]propanoic acid?
The InChIKey is AAFYALRCZZHOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-15-13(9-16(10)8-7-14(17)18)11-3-5-12(19-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[4-(4-methoxyphenyl)-2-methylimidazol-1-yl]propanoic acid?
3-[4-(4-methoxyphenyl)-2-methylimidazol-1-yl]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)-2-methylimidazol-1-yl]propanoic acid is sourced from PubChem (CID 25163040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).