2-(1H-imidazol-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one

C17H13BN2O3 — CID 170652460

IUPAC2-(1H-imidazol-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one
SMILESO=C1OB(c2ncc[nH]2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H13BN2O3/c21-15-17(13-7-3-1-4-8-13,14-9-5-2-6-10-14)23-18(22-15)16-19-11-12-20-16/h1-12H,(H,19,20)
InChIKeyIRZPZKDFRZFEJA-UHFFFAOYSA-N
MW304.11 g/mol
LogP1.62
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one

2-(1H-imidazol-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one (PubChem CID 170652460) has the molecular formula C17H13BN2O3 and a molecular weight of 304.11 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one
PubChem CID170652460
Molecular FormulaC17H13BN2O3
Molecular Weight304.11 g/mol
Exact Mass304.10
IUPAC Name2-(1H-imidazol-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one
SMILESO=C1OB(c2ncc[nH]2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H13BN2O3/c21-15-17(13-7-3-1-4-8-13,14-9-5-2-6-10-14)23-18(22-15)16-19-11-12-20-16/h1-12H,(H,19,20)
InChIKeyIRZPZKDFRZFEJA-UHFFFAOYSA-N
XLogP1.62
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.11
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(1H-imidazol-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one 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-(1H-imidazol-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one?
The IUPAC name of 2-(1H-imidazol-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one (CID 170652460) is 2-(1H-imidazol-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one?
The canonical SMILES for 2-(1H-imidazol-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one is O=C1OB(c2ncc[nH]2)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one?
The InChIKey is IRZPZKDFRZFEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BN2O3/c21-15-17(13-7-3-1-4-8-13,14-9-5-2-6-10-14)23-18(22-15)16-19-11-12-20-16/h1-12H,(H,19,20).
What are the key properties of 2-(1H-imidazol-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one?
2-(1H-imidazol-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one has a molecular weight of 304.11 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one is sourced from PubChem (CID 170652460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).