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

C14H16N2O3 — CID 82301682

IUPAC3-[1-(3-methoxyphenyl)-2-methylimidazol-4-yl]propanoic acid
SMILESCOc1cccc(-n2cc(CCC(=O)O)nc2C)c1
InChIInChI=1S/C14H16N2O3/c1-10-15-11(6-7-14(17)18)9-16(10)12-4-3-5-13(8-12)19-2/h3-5,8-9H,6-7H2,1-2H3,(H,17,18)
InChIKeyJWHKSKIBRAMVQY-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.21
Rot. Bonds5

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

3-[1-(3-methoxyphenyl)-2-methylimidazol-4-yl]propanoic acid (PubChem CID 82301682) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[1-(3-methoxyphenyl)-2-methylimidazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-methoxyphenyl)-2-methylimidazol-4-yl]propanoic acid
PubChem CID82301682
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[1-(3-methoxyphenyl)-2-methylimidazol-4-yl]propanoic acid
SMILESCOc1cccc(-n2cc(CCC(=O)O)nc2C)c1
InChIInChI=1S/C14H16N2O3/c1-10-15-11(6-7-14(17)18)9-16(10)12-4-3-5-13(8-12)19-2/h3-5,8-9H,6-7H2,1-2H3,(H,17,18)
InChIKeyJWHKSKIBRAMVQY-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid
CID 82288832
11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid
CID 69479442
14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid
CID 69480323
17-(2-methyl-1-phenylimidazol-4-yl)heptadecanoic acid
CID 69479264
9-(2-methyl-1-phenylimidazol-4-yl)nonanoic acid
CID 69479229
3-[4-bromo-1-(3-methoxyphenyl)pyrazol-3-yl]propanoic acid
CID 116818732
2-(3-methylphenoxy)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide
CID 110711147
3-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid
CID 1166306
3-[4-bromo-5-(3-methoxyphenyl)-1-methylimidazol-2-yl]propanoic acid
CID 84611921
3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid
CID 82479273
3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
CID 82090420
[1-(3-chlorophenyl)-2-methylimidazol-4-yl]methanamine
CID 82286825

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxyphenyl)-2-methylimidazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-(3-methoxyphenyl)-2-methylimidazol-4-yl]propanoic acid (CID 82301682) is 3-[1-(3-methoxyphenyl)-2-methylimidazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-methoxyphenyl)-2-methylimidazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-methoxyphenyl)-2-methylimidazol-4-yl]propanoic acid is COc1cccc(-n2cc(CCC(=O)O)nc2C)c1.
What is the InChIKey of 3-[1-(3-methoxyphenyl)-2-methylimidazol-4-yl]propanoic acid?
The InChIKey is JWHKSKIBRAMVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-15-11(6-7-14(17)18)9-16(10)12-4-3-5-13(8-12)19-2/h3-5,8-9H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 3-[1-(3-methoxyphenyl)-2-methylimidazol-4-yl]propanoic acid?
3-[1-(3-methoxyphenyl)-2-methylimidazol-4-yl]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxyphenyl)-2-methylimidazol-4-yl]propanoic acid is sourced from PubChem (CID 82301682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).