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

C24H20N2O4 — CID 1115191

IUPAC2-[4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxyphenoxy]acetic acid
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1OCC(=O)O
InChIInChI=1S/C24H20N2O4/c1-29-20-14-18(12-13-19(20)30-15-21(27)28)24-25-22(16-8-4-2-5-9-16)23(26-24)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H,25,26)(H,27,28)
InChIKeyCQOBLMRYNHQZSW-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.88
Rot. Bonds7

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

2-[4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxyphenoxy]acetic acid (PubChem CID 1115191) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxyphenoxy]acetic acid
PubChem CID1115191
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2-[4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxyphenoxy]acetic acid
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1OCC(=O)O
InChIInChI=1S/C24H20N2O4/c1-29-20-14-18(12-13-19(20)30-15-21(27)28)24-25-22(16-8-4-2-5-9-16)23(26-24)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H,25,26)(H,27,28)
InChIKeyCQOBLMRYNHQZSW-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxyphenoxy]acetic acid?
The IUPAC name of 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxyphenoxy]acetic acid (CID 1115191) is 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxyphenoxy]acetic acid?
The canonical SMILES for 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxyphenoxy]acetic acid is COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxyphenoxy]acetic acid?
The InChIKey is CQOBLMRYNHQZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-29-20-14-18(12-13-19(20)30-15-21(27)28)24-25-22(16-8-4-2-5-9-16)23(26-24)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxyphenoxy]acetic acid?
2-[4-(4,5-diphenyl-1H-imidazol-2-yl)-2-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-[4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxyphenoxy]acetic acid is sourced from PubChem (CID 1115191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).