7-tert-butyl-8aH-imidazo[1,2-a]pyridin-4-ium

C11H15N2+ — CID 147218258

IUPAC7-tert-butyl-8aH-imidazo[1,2-a]pyridin-4-ium
SMILESCC(C)(C)C1=CC2N=CC=[N+]2C=C1
InChIInChI=1S/C11H15N2/c1-11(2,3)9-4-6-13-7-5-12-10(13)8-9/h4-8,10H,1-3H3/q+1
InChIKeyHGGGOYNAOCPQIK-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.98
Rot. Bonds

About 7-tert-butyl-8aH-imidazo[1,2-a]pyridin-4-ium

7-tert-butyl-8aH-imidazo[1,2-a]pyridin-4-ium (PubChem CID 147218258) has the molecular formula C11H15N2+ and a molecular weight of 175.25 g/mol. Its IUPAC name is 7-tert-butyl-8aH-imidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name7-tert-butyl-8aH-imidazo[1,2-a]pyridin-4-ium
PubChem CID147218258
Molecular FormulaC11H15N2+
Molecular Weight175.25 g/mol
Exact Mass175.12
IUPAC Name7-tert-butyl-8aH-imidazo[1,2-a]pyridin-4-ium
SMILESCC(C)(C)C1=CC2N=CC=[N+]2C=C1
InChIInChI=1S/C11H15N2/c1-11(2,3)9-4-6-13-7-5-12-10(13)8-9/h4-8,10H,1-3H3/q+1
InChIKeyHGGGOYNAOCPQIK-UHFFFAOYSA-N
XLogP1.98
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6-tert-butyl-8aH-indolizin-4-ium
CID 59125443
7-Propan-2-yl-3,8a-dihydroimidazo[1,2-a]pyridine
CID 117797893
5,9-Dimethyl-2,9-diazabicyclo[4.3.1]deca-2,4,6(10),7-tetraene
CID 123401588
(2E)-1-methyl-2-pent-3-en-2-ylidenepyrimidine
CID 134594357
3,6-dimethyl-8aH-imidazo[1,2-a]pyridin-4-ium
CID 153452302
6-Methyl-3,8a-dihydroimidazo[1,2-a]pyridine
CID 155042080
7-tert-butyl-8aH-[1,2,4]triazolo[4,3-a]pyridin-4-ium
CID 165374320
ethane;6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium
CID 169152658
6-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium
CID 170657333
6-tert-butyl-2H-imidazo[1,2-a]pyridin-4-ium
CID 172123955
8-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium
CID 172494365
[(2E,4E)-3-tert-butyl-5-(dimethylamino)penta-2,4-dienylidene]-dimethylazanium
CID 50852308

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-8aH-imidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 7-tert-butyl-8aH-imidazo[1,2-a]pyridin-4-ium (CID 147218258) is 7-tert-butyl-8aH-imidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 7-tert-butyl-8aH-imidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 7-tert-butyl-8aH-imidazo[1,2-a]pyridin-4-ium is CC(C)(C)C1=CC2N=CC=[N+]2C=C1.
What is the InChIKey of 7-tert-butyl-8aH-imidazo[1,2-a]pyridin-4-ium?
The InChIKey is HGGGOYNAOCPQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2/c1-11(2,3)9-4-6-13-7-5-12-10(13)8-9/h4-8,10H,1-3H3/q+1.
What are the key properties of 7-tert-butyl-8aH-imidazo[1,2-a]pyridin-4-ium?
7-tert-butyl-8aH-imidazo[1,2-a]pyridin-4-ium has a molecular weight of 175.25 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-8aH-imidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 147218258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).