2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenoxy]acetic acid

C29H22N2O3 — CID 20577272

IUPAC2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C29H22N2O3/c32-26(33)19-34-23-15-9-14-22(18-23)24-16-7-8-17-25(24)29-30-27(20-10-3-1-4-11-20)28(31-29)21-12-5-2-6-13-21/h1-18H,19H2,(H,30,31)(H,32,33)
InChIKeyQZAIUSCFELFJJH-UHFFFAOYSA-N
MW446.51 g/mol
LogP6.54
Rot. Bonds7

About 2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenoxy]acetic acid

2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenoxy]acetic acid (PubChem CID 20577272) has the molecular formula C29H22N2O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenoxy]acetic acid
PubChem CID20577272
Molecular FormulaC29H22N2O3
Molecular Weight446.51 g/mol
Exact Mass446.16
IUPAC Name2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C29H22N2O3/c32-26(33)19-34-23-15-9-14-22(18-23)24-16-7-8-17-25(24)29-30-27(20-10-3-1-4-11-20)28(31-29)21-12-5-2-6-13-21/h1-18H,19H2,(H,30,31)(H,32,33)
InChIKeyQZAIUSCFELFJJH-UHFFFAOYSA-N
XLogP6.54
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenoxy]acetic acid (CID 20577272) is 2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenoxy]acetic acid is O=C(O)COc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenoxy]acetic acid?
The InChIKey is QZAIUSCFELFJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O3/c32-26(33)19-34-23-15-9-14-22(18-23)24-16-7-8-17-25(24)29-30-27(20-10-3-1-4-11-20)28(31-29)21-12-5-2-6-13-21/h1-18H,19H2,(H,30,31)(H,32,33).
What are the key properties of 2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenoxy]acetic acid?
2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenoxy]acetic acid has a molecular weight of 446.51 g/mol, XLogP of 6.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenoxy]acetic acid is sourced from PubChem (CID 20577272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).