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

C39H43B2ClN4O4 — CID 143900711

IUPAC2-(4-chlorophenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
SMILESCC1(C)OB(c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)OC1(C)C.Cc1ccc(-c2cn3cc(B4OC(C)(C)C(C)(C)O4)ccc3n2)cc1
InChIInChI=1S/C20H23BN2O2.C19H20BClN2O2/c1-14-6-8-15(9-7-14)17-13-23-12-16(10-11-18(23)22-17)21-24-19(2,3)20(4,5)25-21;1-18(2)19(3,4)25-20(24-18)14-7-10-17-22-16(12-23(17)11-14)13-5-8-15(21)9-6-13/h6-13H,1-5H3;5-12H,1-4H3
InChIKeyFBKQSPZPEMVFOU-UHFFFAOYSA-N
MW688.87 g/mol
LogP7.56
Rot. Bonds4

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

2-(4-chlorophenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (PubChem CID 143900711) has the molecular formula C39H43B2ClN4O4 and a molecular weight of 688.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
PubChem CID143900711
Molecular FormulaC39H43B2ClN4O4
Molecular Weight688.87 g/mol
Exact Mass688.32
IUPAC Name2-(4-chlorophenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
SMILESCC1(C)OB(c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)OC1(C)C.Cc1ccc(-c2cn3cc(B4OC(C)(C)C(C)(C)O4)ccc3n2)cc1
InChIInChI=1S/C20H23BN2O2.C19H20BClN2O2/c1-14-6-8-15(9-7-14)17-13-23-12-16(10-11-18(23)22-17)21-24-19(2,3)20(4,5)25-21;1-18(2)19(3,4)25-20(24-18)14-7-10-17-22-16(12-23(17)11-14)13-5-8-15(21)9-6-13/h6-13H,1-5H3;5-12H,1-4H3
InChIKeyFBKQSPZPEMVFOU-UHFFFAOYSA-N
XLogP7.56
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-(4-Chlorophenyl)-7-methyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine
CID 46904304
2-(4-Chlorophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine
CID 53299376
1-(4-{[2-(4-Chlorophenyl)-6-phenylimidazo[1,2-A]pyridin-3-YL]methyl}piperazin-1-YL)ethan-1-one
CID 45970413
1-(4-{[2-(4-Chlorophenyl)-6-phenylimidazo[1,2-A]pyridin-3-YL]methyl}piperazin-1-YL)propan-1-one
CID 45970437
[4-[[2-(4-Chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 121309797
1H-Imidazo(1,2-a)pyridin-4-ium, 1,1'-hexamethylenebis(3-methyl-2-phenyl-, diperchlorate
CID 13318866
1H-Imidazo(1,2-a)pyridin-4-ium, 1,1'-hexamethylenebis(3-ethyl-2-phenyl-, diperchlorate
CID 15588583
1H-Imidazo(1,2-a)pyridin-4-ium, 1,1'-octamethylenebis(3-methyl-2-phenyl-, diperchlorate
CID 15588589
1H-Imidazo(1,2-a)pyridin-4-ium, 1,1'-tetramethylenebis(3-methyl-2-phenyl-, diperchlorate
CID 15588591
2-(4-Chlorophenyl)-6-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine
CID 155540265
8-(4-Chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 156013371
Tert-butyl 4-((2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl)piperazine-1-carboxylate
CID 117704311

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-chlorophenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (CID 143900711) is 2-(4-chlorophenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is CC1(C)OB(c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)OC1(C)C.Cc1ccc(-c2cn3cc(B4OC(C)(C)C(C)(C)O4)ccc3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
The InChIKey is FBKQSPZPEMVFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BN2O2.C19H20BClN2O2/c1-14-6-8-15(9-7-14)17-13-23-12-16(10-11-18(23)22-17)21-24-19(2,3)20(4,5)25-21;1-18(2)19(3,4)25-20(24-18)14-7-10-17-22-16(12-23(17)11-14)13-5-8-15(21)9-6-13/h6-13H,1-5H3;5-12H,1-4H3.
What are the key properties of 2-(4-chlorophenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
2-(4-chlorophenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 688.87 g/mol, XLogP of 7.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 143900711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).