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

C14H16N2O3 — CID 82301525

IUPAC3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
SMILESCOc1cccc(-c2nc(CCC(=O)O)c(C)[nH]2)c1
InChIInChI=1S/C14H16N2O3/c1-9-12(6-7-13(17)18)16-14(15-9)10-4-3-5-11(8-10)19-2/h3-5,8H,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyIJIOAZAZVPCNBO-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.41
Rot. Bonds5

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

3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid (PubChem CID 82301525) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
PubChem CID82301525
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
SMILESCOc1cccc(-c2nc(CCC(=O)O)c(C)[nH]2)c1
InChIInChI=1S/C14H16N2O3/c1-9-12(6-7-13(17)18)16-14(15-9)10-4-3-5-11(8-10)19-2/h3-5,8H,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyIJIOAZAZVPCNBO-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

3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82301524
(E)-3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]prop-2-enoic acid
CID 82300310
3-[2-(4-ethylphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82300460
3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
CID 82090420
4-(2-methoxyethyl)-5-methyl-2-phenyl-1H-imidazole
CID 70591932
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 75433034
3-[4-bromo-5-(3-methoxyphenyl)-1-methylimidazol-2-yl]propanoic acid
CID 84611921
3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 71905690
2-(4-methoxyphenyl)-5-methyl-4-propyl-1H-imidazole
CID 160651748
3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine
CID 174519203
3-[2-[(3-methoxyphenyl)methyl]-1H-imidazol-5-yl]propanoic acid
CID 95466644
3-[6-(3-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoic acid
CID 82444203

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid (CID 82301525) is 3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid is COc1cccc(-c2nc(CCC(=O)O)c(C)[nH]2)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid?
The InChIKey is IJIOAZAZVPCNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-12(6-7-13(17)18)16-14(15-9)10-4-3-5-11(8-10)19-2/h3-5,8H,6-7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid?
3-[2-(3-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-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid is sourced from PubChem (CID 82301525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).