2-(2,4-dimethoxyphenyl)-2-imidazol-1-ylacetic acid

C13H14N2O4 — CID 70309960

IUPAC2-(2,4-dimethoxyphenyl)-2-imidazol-1-ylacetic acid
SMILESCOc1ccc(C(C(=O)O)n2ccnc2)c(OC)c1
InChIInChI=1S/C13H14N2O4/c1-18-9-3-4-10(11(7-9)19-2)12(13(16)17)15-6-5-14-8-15/h3-8,12H,1-2H3,(H,16,17)
InChIKeyQOPSIHZGIOYMRD-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.57
Rot. Bonds5

About 2-(2,4-dimethoxyphenyl)-2-imidazol-1-ylacetic acid

2-(2,4-dimethoxyphenyl)-2-imidazol-1-ylacetic acid (PubChem CID 70309960) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-2-imidazol-1-ylacetic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-2-imidazol-1-ylacetic acid
PubChem CID70309960
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name2-(2,4-dimethoxyphenyl)-2-imidazol-1-ylacetic acid
SMILESCOc1ccc(C(C(=O)O)n2ccnc2)c(OC)c1
InChIInChI=1S/C13H14N2O4/c1-18-9-3-4-10(11(7-9)19-2)12(13(16)17)15-6-5-14-8-15/h3-8,12H,1-2H3,(H,16,17)
InChIKeyQOPSIHZGIOYMRD-UHFFFAOYSA-N
XLogP1.57
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(azepan-1-yl)-2-(2,4-dimethoxyphenyl)acetic acid
CID 93464327
2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide
CID 91841839
2-[(2,4-dimethoxyphenyl)-(2-methylimidazol-1-yl)methyl]propanedioic acid
CID 161220240
4-[1-(2,4-dimethoxyphenyl)-2-imidazol-1-ylethyl]sulfanylbenzoic acid;hydrochloride
CID 67833864
2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid
CID 116942209
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide
CID 84556329
2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid
CID 131855492
3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953323
2-[4-[(S)-(2,4-dimethoxyphenyl)-formamidomethyl]phenoxy]acetic acid
CID 87765719
1-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-yn-1-ol
CID 67563046
2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid
CID 69271867
(3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide
CID 92749514

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-2-imidazol-1-ylacetic acid?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-2-imidazol-1-ylacetic acid (CID 70309960) is 2-(2,4-dimethoxyphenyl)-2-imidazol-1-ylacetic acid.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-2-imidazol-1-ylacetic acid?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-2-imidazol-1-ylacetic acid is COc1ccc(C(C(=O)O)n2ccnc2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-2-imidazol-1-ylacetic acid?
The InChIKey is QOPSIHZGIOYMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-18-9-3-4-10(11(7-9)19-2)12(13(16)17)15-6-5-14-8-15/h3-8,12H,1-2H3,(H,16,17).
What are the key properties of 2-(2,4-dimethoxyphenyl)-2-imidazol-1-ylacetic acid?
2-(2,4-dimethoxyphenyl)-2-imidazol-1-ylacetic acid has a molecular weight of 262.27 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-2-imidazol-1-ylacetic acid is sourced from PubChem (CID 70309960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).