4-methyl-8-phenylimidazo[1,2-a]pyridin-4-ium

C14H13N2+ — CID 67181975

IUPAC4-methyl-8-phenylimidazo[1,2-a]pyridin-4-ium
SMILESC[N+]12C=CC=C(c3ccccc3)C1=NC=C2
InChIInChI=1S/C14H13N2/c1-16-10-5-8-13(14(16)15-9-11-16)12-6-3-2-4-7-12/h2-11H,1H3/q+1
InChIKeySPEPMRZNGDDUGH-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.93
Rot. Bonds1

About 4-methyl-8-phenylimidazo[1,2-a]pyridin-4-ium

4-methyl-8-phenylimidazo[1,2-a]pyridin-4-ium (PubChem CID 67181975) has the molecular formula C14H13N2+ and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-methyl-8-phenylimidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name4-methyl-8-phenylimidazo[1,2-a]pyridin-4-ium
PubChem CID67181975
Molecular FormulaC14H13N2+
Molecular Weight209.27 g/mol
Exact Mass209.11
IUPAC Name4-methyl-8-phenylimidazo[1,2-a]pyridin-4-ium
SMILESC[N+]12C=CC=C(c3ccccc3)C1=NC=C2
InChIInChI=1S/C14H13N2/c1-16-10-5-8-13(14(16)15-9-11-16)12-6-3-2-4-7-12/h2-11H,1H3/q+1
InChIKeySPEPMRZNGDDUGH-UHFFFAOYSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-phenylimidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 4-methyl-8-phenylimidazo[1,2-a]pyridin-4-ium (CID 67181975) is 4-methyl-8-phenylimidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 4-methyl-8-phenylimidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 4-methyl-8-phenylimidazo[1,2-a]pyridin-4-ium is C[N+]12C=CC=C(c3ccccc3)C1=NC=C2.
What is the InChIKey of 4-methyl-8-phenylimidazo[1,2-a]pyridin-4-ium?
The InChIKey is SPEPMRZNGDDUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N2/c1-16-10-5-8-13(14(16)15-9-11-16)12-6-3-2-4-7-12/h2-11H,1H3/q+1.
What are the key properties of 4-methyl-8-phenylimidazo[1,2-a]pyridin-4-ium?
4-methyl-8-phenylimidazo[1,2-a]pyridin-4-ium has a molecular weight of 209.27 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-phenylimidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 67181975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).