2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid

C12H12N2O3 — CID 82289482

IUPAC2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
SMILESCOc1ccc(-c2ncc(CC(=O)O)[nH]2)cc1
InChIInChI=1S/C12H12N2O3/c1-17-10-4-2-8(3-5-10)12-13-7-9(14-12)6-11(15)16/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyGIJWXHGHKGVTRA-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.71
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid

2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid (PubChem CID 82289482) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
PubChem CID82289482
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
SMILESCOc1ccc(-c2ncc(CC(=O)O)[nH]2)cc1
InChIInChI=1S/C12H12N2O3/c1-17-10-4-2-8(3-5-10)12-13-7-9(14-12)6-11(15)16/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyGIJWXHGHKGVTRA-UHFFFAOYSA-N
XLogP1.71
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid (CID 82289482) is 2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid is COc1ccc(-c2ncc(CC(=O)O)[nH]2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid?
The InChIKey is GIJWXHGHKGVTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-17-10-4-2-8(3-5-10)12-13-7-9(14-12)6-11(15)16/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid?
2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid has a molecular weight of 232.24 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid is sourced from PubChem (CID 82289482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).