3,6-dimethyl-8aH-imidazo[1,2-a]pyridin-4-ium

C9H11N2+ — CID 153452302

IUPAC3,6-dimethyl-8aH-imidazo[1,2-a]pyridin-4-ium
SMILESCC1=C[N+]2=C(C)C=NC2C=C1
InChIInChI=1S/C9H11N2/c1-7-3-4-9-10-5-8(2)11(9)6-7/h3-6,9H,1-2H3/q+1
InChIKeyKMHOYEVBVXIFPC-UHFFFAOYSA-N
MW147.20 g/mol
LogP1.34
Rot. Bonds

About 3,6-dimethyl-8aH-imidazo[1,2-a]pyridin-4-ium

3,6-dimethyl-8aH-imidazo[1,2-a]pyridin-4-ium (PubChem CID 153452302) has the molecular formula C9H11N2+ and a molecular weight of 147.20 g/mol. Its IUPAC name is 3,6-dimethyl-8aH-imidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name3,6-dimethyl-8aH-imidazo[1,2-a]pyridin-4-ium
PubChem CID153452302
Molecular FormulaC9H11N2+
Molecular Weight147.20 g/mol
Exact Mass147.09
IUPAC Name3,6-dimethyl-8aH-imidazo[1,2-a]pyridin-4-ium
SMILESCC1=C[N+]2=C(C)C=NC2C=C1
InChIInChI=1S/C9H11N2/c1-7-3-4-9-10-5-8(2)11(9)6-7/h3-6,9H,1-2H3/q+1
InChIKeyKMHOYEVBVXIFPC-UHFFFAOYSA-N
XLogP1.34
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,6-dimethyl-8aH-imidazo[1,2-a]pyridin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-8aH-imidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 3,6-dimethyl-8aH-imidazo[1,2-a]pyridin-4-ium (CID 153452302) is 3,6-dimethyl-8aH-imidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 3,6-dimethyl-8aH-imidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 3,6-dimethyl-8aH-imidazo[1,2-a]pyridin-4-ium is CC1=C[N+]2=C(C)C=NC2C=C1.
What is the InChIKey of 3,6-dimethyl-8aH-imidazo[1,2-a]pyridin-4-ium?
The InChIKey is KMHOYEVBVXIFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N2/c1-7-3-4-9-10-5-8(2)11(9)6-7/h3-6,9H,1-2H3/q+1.
What are the key properties of 3,6-dimethyl-8aH-imidazo[1,2-a]pyridin-4-ium?
3,6-dimethyl-8aH-imidazo[1,2-a]pyridin-4-ium has a molecular weight of 147.20 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-8aH-imidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 153452302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).