2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine

C18H24BrN3O — CID 87407652

IUPAC2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine
SMILESCC(C)(C)c1nc(-c2cccc(Br)n2)cn1CC1CCOCC1
InChIInChI=1S/C18H24BrN3O/c1-18(2,3)17-21-15(14-5-4-6-16(19)20-14)12-22(17)11-13-7-9-23-10-8-13/h4-6,12-13H,7-11H2,1-3H3
InChIKeyFSWKNLAGVMRADO-UHFFFAOYSA-N
MW378.31 g/mol
LogP4.43
Rot. Bonds3

About 2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine

2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine (PubChem CID 87407652) has the molecular formula C18H24BrN3O and a molecular weight of 378.31 g/mol. Its IUPAC name is 2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine
PubChem CID87407652
Molecular FormulaC18H24BrN3O
Molecular Weight378.31 g/mol
Exact Mass377.11
IUPAC Name2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine
SMILESCC(C)(C)c1nc(-c2cccc(Br)n2)cn1CC1CCOCC1
InChIInChI=1S/C18H24BrN3O/c1-18(2,3)17-21-15(14-5-4-6-16(19)20-14)12-22(17)11-13-7-9-23-10-8-13/h4-6,12-13H,7-11H2,1-3H3
InChIKeyFSWKNLAGVMRADO-UHFFFAOYSA-N
XLogP4.43
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine?
The IUPAC name of 2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine (CID 87407652) is 2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine?
The canonical SMILES for 2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine is CC(C)(C)c1nc(-c2cccc(Br)n2)cn1CC1CCOCC1.
What is the InChIKey of 2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine?
The InChIKey is FSWKNLAGVMRADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O/c1-18(2,3)17-21-15(14-5-4-6-16(19)20-14)12-22(17)11-13-7-9-23-10-8-13/h4-6,12-13H,7-11H2,1-3H3.
What are the key properties of 2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine?
2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine has a molecular weight of 378.31 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 87407652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).