2-butyl-1-(4-methylphenyl)imidazo[1,5-a]pyridin-2-ium

C18H21N2+ — CID 86732004

IUPAC2-butyl-1-(4-methylphenyl)imidazo[1,5-a]pyridin-2-ium
SMILESCCCC[n+]1cn2ccccc2c1-c1ccc(C)cc1
InChIInChI=1S/C18H21N2/c1-3-4-12-20-14-19-13-6-5-7-17(19)18(20)16-10-8-15(2)9-11-16/h5-11,13-14H,3-4,12H2,1-2H3/q+1
InChIKeyYCMAJPQLVDGAJC-UHFFFAOYSA-N
MW265.38 g/mol
LogP4.00
Rot. Bonds4

About 2-butyl-1-(4-methylphenyl)imidazo[1,5-a]pyridin-2-ium

2-butyl-1-(4-methylphenyl)imidazo[1,5-a]pyridin-2-ium (PubChem CID 86732004) has the molecular formula C18H21N2+ and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-butyl-1-(4-methylphenyl)imidazo[1,5-a]pyridin-2-ium.

Molecular Properties

Compound Name2-butyl-1-(4-methylphenyl)imidazo[1,5-a]pyridin-2-ium
PubChem CID86732004
Molecular FormulaC18H21N2+
Molecular Weight265.38 g/mol
Exact Mass265.17
IUPAC Name2-butyl-1-(4-methylphenyl)imidazo[1,5-a]pyridin-2-ium
SMILESCCCC[n+]1cn2ccccc2c1-c1ccc(C)cc1
InChIInChI=1S/C18H21N2/c1-3-4-12-20-14-19-13-6-5-7-17(19)18(20)16-10-8-15(2)9-11-16/h5-11,13-14H,3-4,12H2,1-2H3/q+1
InChIKeyYCMAJPQLVDGAJC-UHFFFAOYSA-N
XLogP4.00
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-butyl-1-(4-methylphenyl)imidazo[1,5-a]pyridin-2-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 2-butyl-1-(4-methylphenyl)imidazo[1,5-a]pyridin-2-ium?
The IUPAC name of 2-butyl-1-(4-methylphenyl)imidazo[1,5-a]pyridin-2-ium (CID 86732004) is 2-butyl-1-(4-methylphenyl)imidazo[1,5-a]pyridin-2-ium.
What is the SMILES notation for 2-butyl-1-(4-methylphenyl)imidazo[1,5-a]pyridin-2-ium?
The canonical SMILES for 2-butyl-1-(4-methylphenyl)imidazo[1,5-a]pyridin-2-ium is CCCC[n+]1cn2ccccc2c1-c1ccc(C)cc1.
What is the InChIKey of 2-butyl-1-(4-methylphenyl)imidazo[1,5-a]pyridin-2-ium?
The InChIKey is YCMAJPQLVDGAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N2/c1-3-4-12-20-14-19-13-6-5-7-17(19)18(20)16-10-8-15(2)9-11-16/h5-11,13-14H,3-4,12H2,1-2H3/q+1.
What are the key properties of 2-butyl-1-(4-methylphenyl)imidazo[1,5-a]pyridin-2-ium?
2-butyl-1-(4-methylphenyl)imidazo[1,5-a]pyridin-2-ium has a molecular weight of 265.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(4-methylphenyl)imidazo[1,5-a]pyridin-2-ium is sourced from PubChem (CID 86732004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).