7-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine

C20H23BN2O2 — CID 123979277

IUPAC7-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine
SMILESCc1ccn2cc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)nc2c1
InChIInChI=1S/C20H23BN2O2/c1-14-10-11-23-13-17(22-18(23)12-14)15-6-8-16(9-7-15)21-24-19(2,3)20(4,5)25-21/h6-13H,1-5H3
InChIKeyQYSMJZYZGRNRGK-UHFFFAOYSA-N
MW334.23 g/mol
LogP3.61
Rot. Bonds2

About 7-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine

7-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 123979277) has the molecular formula C20H23BN2O2 and a molecular weight of 334.23 g/mol. Its IUPAC name is 7-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine
PubChem CID123979277
Molecular FormulaC20H23BN2O2
Molecular Weight334.23 g/mol
Exact Mass334.19
IUPAC Name7-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine
SMILESCc1ccn2cc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)nc2c1
InChIInChI=1S/C20H23BN2O2/c1-14-10-11-23-13-17(22-18(23)12-14)15-6-8-16(9-7-15)21-24-19(2,3)20(4,5)25-21/h6-13H,1-5H3
InChIKeyQYSMJZYZGRNRGK-UHFFFAOYSA-N
XLogP3.61
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenyl)-7-methylimidazo[1,2-a]pyridine
CID 4837144
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyrimidine
CID 90224392
7-methyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine
CID 868213
2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 19210007
2-(3-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
CID 67265133
1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole
CID 123741686
ethane;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane
CID 142330584
6-(7-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one chloride
CID 53350664
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-2-carbonitrile
CID 89467347
2-(1,3-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-a]pyridine
CID 113303289
2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234062
5-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline;2-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c][2,7]phenanthroline
CID 165059653

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 7-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine (CID 123979277) is 7-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 7-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine is Cc1ccn2cc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)nc2c1.
What is the InChIKey of 7-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is QYSMJZYZGRNRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BN2O2/c1-14-10-11-23-13-17(22-18(23)12-14)15-6-8-16(9-7-15)21-24-19(2,3)20(4,5)25-21/h6-13H,1-5H3.
What are the key properties of 7-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine?
7-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 334.23 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 123979277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).