2-imidazol-1-yl-6-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C18H26BN3O3 — CID 172645499

IUPAC2-imidazol-1-yl-6-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC(C)(C)Oc1cc(B2OC(C)(C)C(C)(C)O2)cc(-n2ccnc2)n1
InChIInChI=1S/C18H26BN3O3/c1-16(2,3)23-15-11-13(10-14(21-15)22-9-8-20-12-22)19-24-17(4,5)18(6,7)25-19/h8-12H,1-7H3
InChIKeyXWKDCGLARDLLHU-UHFFFAOYSA-N
MW343.24 g/mol
LogP2.74
Rot. Bonds3

About 2-imidazol-1-yl-6-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-imidazol-1-yl-6-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 172645499) has the molecular formula C18H26BN3O3 and a molecular weight of 343.24 g/mol. Its IUPAC name is 2-imidazol-1-yl-6-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name2-imidazol-1-yl-6-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID172645499
Molecular FormulaC18H26BN3O3
Molecular Weight343.24 g/mol
Exact Mass343.21
IUPAC Name2-imidazol-1-yl-6-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC(C)(C)Oc1cc(B2OC(C)(C)C(C)(C)O2)cc(-n2ccnc2)n1
InChIInChI=1S/C18H26BN3O3/c1-16(2,3)23-15-11-13(10-14(21-15)22-9-8-20-12-22)19-24-17(4,5)18(6,7)25-19/h8-12H,1-7H3
InChIKeyXWKDCGLARDLLHU-UHFFFAOYSA-N
XLogP2.74
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]pyridine
CID 142533719
2-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 172645471
4-imidazol-1-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 66521512
2-imidazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
CID 66521304
2-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10762705
1-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazole
CID 71755791
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] imidazole-1-carboxylate
CID 175068132
2-propan-2-yloxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine
CID 53217169
tert-butyl N-[6-bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate
CID 74788470
2,6-dipyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 102315200
6-imidazol-1-yl-2-methylpyrimidin-4-amine
CID 80854231
4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane
CID 142040016

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-6-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 2-imidazol-1-yl-6-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 172645499) is 2-imidazol-1-yl-6-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 2-imidazol-1-yl-6-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 2-imidazol-1-yl-6-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC(C)(C)Oc1cc(B2OC(C)(C)C(C)(C)O2)cc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-6-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is XWKDCGLARDLLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BN3O3/c1-16(2,3)23-15-11-13(10-14(21-15)22-9-8-20-12-22)19-24-17(4,5)18(6,7)25-19/h8-12H,1-7H3.
What are the key properties of 2-imidazol-1-yl-6-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
2-imidazol-1-yl-6-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 343.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-6-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 172645499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).