2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-6-methoxyphenoxy]acetic acid

C24H20N2O4 — CID 1115192

IUPAC2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-6-methoxyphenoxy]acetic acid
SMILESCOc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1OCC(=O)O
InChIInChI=1S/C24H20N2O4/c1-29-19-14-8-13-18(23(19)30-15-20(27)28)24-25-21(16-9-4-2-5-10-16)22(26-24)17-11-6-3-7-12-17/h2-14H,15H2,1H3,(H,25,26)(H,27,28)
InChIKeyXWMJNTQUCIYCPW-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.88
Rot. Bonds7

About 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-6-methoxyphenoxy]acetic acid

2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-6-methoxyphenoxy]acetic acid (PubChem CID 1115192) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-6-methoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-6-methoxyphenoxy]acetic acid
PubChem CID1115192
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-6-methoxyphenoxy]acetic acid
SMILESCOc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1OCC(=O)O
InChIInChI=1S/C24H20N2O4/c1-29-19-14-8-13-18(23(19)30-15-20(27)28)24-25-21(16-9-4-2-5-10-16)22(26-24)17-11-6-3-7-12-17/h2-14H,15H2,1H3,(H,25,26)(H,27,28)
InChIKeyXWMJNTQUCIYCPW-UHFFFAOYSA-N
XLogP4.88
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-6-methoxyphenoxy]acetic acid?
The IUPAC name of 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-6-methoxyphenoxy]acetic acid (CID 1115192) is 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-6-methoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-6-methoxyphenoxy]acetic acid?
The canonical SMILES for 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-6-methoxyphenoxy]acetic acid is COc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1OCC(=O)O.
What is the InChIKey of 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-6-methoxyphenoxy]acetic acid?
The InChIKey is XWMJNTQUCIYCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-29-19-14-8-13-18(23(19)30-15-20(27)28)24-25-21(16-9-4-2-5-10-16)22(26-24)17-11-6-3-7-12-17/h2-14H,15H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-6-methoxyphenoxy]acetic acid?
2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-6-methoxyphenoxy]acetic acid has a molecular weight of 400.43 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-6-methoxyphenoxy]acetic acid is sourced from PubChem (CID 1115192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).