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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Related Compounds

2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole
CID 67456897
2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole
CID 67456732
1-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]phenyl]piperidine
CID 67457722
1-benzyl-5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridin-2-one
CID 67456859
3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-ethyl-N-methylbenzamide;hydrochloride
CID 67457801
6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide
CID 67461504
5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide
CID 67459280
ethyl 5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-1,2-oxazole-3-carboxylate
CID 67456293
3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine
CID 67453486
4-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2-difluoroethyl)-N-methylthiophene-2-carboxamide
CID 87407869
6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-ethyl-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 67456615
4-methyl-1-(oxan-4-ylmethyl)imidazol-2-amine
CID 106572445

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).