(1,2-dimethylimidazo[1,2-a]pyridin-4-ium-3-yl)-diphenylmethanol

C22H21N2O+ — CID 44634524

IUPAC(1,2-dimethylimidazo[1,2-a]pyridin-4-ium-3-yl)-diphenylmethanol
SMILESCc1c(C(O)(c2ccccc2)c2ccccc2)[n+]2ccccc2n1C
InChIInChI=1S/C22H21N2O/c1-17-21(24-16-10-9-15-20(24)23(17)2)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,25H,1-2H3/q+1
InChIKeyHCXOEMCJMXYNEF-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.36
Rot. Bonds3

About (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-3-yl)-diphenylmethanol

(1,2-dimethylimidazo[1,2-a]pyridin-4-ium-3-yl)-diphenylmethanol (PubChem CID 44634524) has the molecular formula C22H21N2O+ and a molecular weight of 329.42 g/mol. Its IUPAC name is (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-3-yl)-diphenylmethanol.

Molecular Properties

Compound Name(1,2-dimethylimidazo[1,2-a]pyridin-4-ium-3-yl)-diphenylmethanol
PubChem CID44634524
Molecular FormulaC22H21N2O+
Molecular Weight329.42 g/mol
Exact Mass329.16
IUPAC Name(1,2-dimethylimidazo[1,2-a]pyridin-4-ium-3-yl)-diphenylmethanol
SMILESCc1c(C(O)(c2ccccc2)c2ccccc2)[n+]2ccccc2n1C
InChIInChI=1S/C22H21N2O/c1-17-21(24-16-10-9-15-20(24)23(17)2)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,25H,1-2H3/q+1
InChIKeyHCXOEMCJMXYNEF-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-3-yl)-diphenylmethanol 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 (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-3-yl)-diphenylmethanol?
The IUPAC name of (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-3-yl)-diphenylmethanol (CID 44634524) is (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-3-yl)-diphenylmethanol.
What is the SMILES notation for (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-3-yl)-diphenylmethanol?
The canonical SMILES for (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-3-yl)-diphenylmethanol is Cc1c(C(O)(c2ccccc2)c2ccccc2)[n+]2ccccc2n1C.
What is the InChIKey of (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-3-yl)-diphenylmethanol?
The InChIKey is HCXOEMCJMXYNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N2O/c1-17-21(24-16-10-9-15-20(24)23(17)2)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,25H,1-2H3/q+1.
What are the key properties of (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-3-yl)-diphenylmethanol?
(1,2-dimethylimidazo[1,2-a]pyridin-4-ium-3-yl)-diphenylmethanol has a molecular weight of 329.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-3-yl)-diphenylmethanol is sourced from PubChem (CID 44634524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).