N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-tert-butylbenzamide

C18H18BrN3O — CID 59175417

IUPACN-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cn3cc(Br)ccc3n2)cc1
InChIInChI=1S/C18H18BrN3O/c1-18(2,3)13-6-4-12(5-7-13)17(23)21-15-11-22-10-14(19)8-9-16(22)20-15/h4-11H,1-3H3,(H,21,23)
InChIKeyJQUBHAZSXQUISS-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.65
Rot. Bonds2

About N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-tert-butylbenzamide

N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-tert-butylbenzamide (PubChem CID 59175417) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-tert-butylbenzamide
PubChem CID59175417
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC NameN-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cn3cc(Br)ccc3n2)cc1
InChIInChI=1S/C18H18BrN3O/c1-18(2,3)13-6-4-12(5-7-13)17(23)21-15-11-22-10-14(19)8-9-16(22)20-15/h4-11H,1-3H3,(H,21,23)
InChIKeyJQUBHAZSXQUISS-UHFFFAOYSA-N
XLogP4.65
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-tert-butylbenzamide?
The IUPAC name of N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-tert-butylbenzamide (CID 59175417) is N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-tert-butylbenzamide?
The canonical SMILES for N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-tert-butylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2cn3cc(Br)ccc3n2)cc1.
What is the InChIKey of N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-tert-butylbenzamide?
The InChIKey is JQUBHAZSXQUISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c1-18(2,3)13-6-4-12(5-7-13)17(23)21-15-11-22-10-14(19)8-9-16(22)20-15/h4-11H,1-3H3,(H,21,23).
What are the key properties of N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-tert-butylbenzamide?
N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-tert-butylbenzamide has a molecular weight of 372.27 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-tert-butylbenzamide is sourced from PubChem (CID 59175417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).