2-(3-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

C20H23BN2O3 — CID 67265133

IUPAC2-(3-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
SMILESCOc1cccc(-c2cn3cc(B4OC(C)(C)C(C)(C)O4)ccc3n2)c1
InChIInChI=1S/C20H23BN2O3/c1-19(2)20(3,4)26-21(25-19)15-9-10-18-22-17(13-23(18)12-15)14-7-6-8-16(11-14)24-5/h6-13H,1-5H3
InChIKeyVRDKMZHYVCWBPJ-UHFFFAOYSA-N
MW350.23 g/mol
LogP3.31
Rot. Bonds3

About 2-(3-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

2-(3-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (PubChem CID 67265133) has the molecular formula C20H23BN2O3 and a molecular weight of 350.23 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
PubChem CID67265133
Molecular FormulaC20H23BN2O3
Molecular Weight350.23 g/mol
Exact Mass350.18
IUPAC Name2-(3-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
SMILESCOc1cccc(-c2cn3cc(B4OC(C)(C)C(C)(C)O4)ccc3n2)c1
InChIInChI=1S/C20H23BN2O3/c1-19(2)20(3,4)26-21(25-19)15-9-10-18-22-17(13-23(18)12-15)14-7-6-8-16(11-14)24-5/h6-13H,1-5H3
InChIKeyVRDKMZHYVCWBPJ-UHFFFAOYSA-N
XLogP3.31
TPSA44.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(3-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (CID 67265133) is 2-(3-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is COc1cccc(-c2cn3cc(B4OC(C)(C)C(C)(C)O4)ccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
The InChIKey is VRDKMZHYVCWBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BN2O3/c1-19(2)20(3,4)26-21(25-19)15-9-10-18-22-17(13-23(18)12-15)14-7-6-8-16(11-14)24-5/h6-13H,1-5H3.
What are the key properties of 2-(3-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
2-(3-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 350.23 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 67265133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).