(2R)-1-benzyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol

C21H21N2O2+ — CID 34637337

IUPAC(2R)-1-benzyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
SMILESCOc1ccc([C@@]2(O)C[n+]3ccccc3N2Cc2ccccc2)cc1
InChIInChI=1S/C21H21N2O2/c1-25-19-12-10-18(11-13-19)21(24)16-22-14-6-5-9-20(22)23(21)15-17-7-3-2-4-8-17/h2-14,24H,15-16H2,1H3/q+1/t21-/m0/s1
InChIKeyCPQSXHILNMULLA-NRFANRHFSA-N
MW333.41 g/mol
LogP2.85
Rot. Bonds4

About (2R)-1-benzyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol

(2R)-1-benzyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol (PubChem CID 34637337) has the molecular formula C21H21N2O2+ and a molecular weight of 333.41 g/mol. Its IUPAC name is (2R)-1-benzyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol.

Molecular Properties

Compound Name(2R)-1-benzyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
PubChem CID34637337
Molecular FormulaC21H21N2O2+
Molecular Weight333.41 g/mol
Exact Mass333.16
IUPAC Name(2R)-1-benzyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
SMILESCOc1ccc([C@@]2(O)C[n+]3ccccc3N2Cc2ccccc2)cc1
InChIInChI=1S/C21H21N2O2/c1-25-19-12-10-18(11-13-19)21(24)16-22-14-6-5-9-20(22)23(21)15-17-7-3-2-4-8-17/h2-14,24H,15-16H2,1H3/q+1/t21-/m0/s1
InChIKeyCPQSXHILNMULLA-NRFANRHFSA-N
XLogP2.85
TPSA36.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-1-benzyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-benzyl-2-(4-methylphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide
CID 20994480
(2S)-1-butyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide
CID 56658014
(2S)-2-(4-methoxyphenyl)-1-octyl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide
CID 56661611
1-benzyl-2-(4-nitrophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol
CID 67300619
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
3-benzyl-4-hydroxy-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 4916828
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
1-benzyl-2-(4-ethoxyphenyl)-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol
CID 5054134
[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine
CID 95504616
2-benzyl-4-(4-methoxyphenyl)-4-methyloxazetidin-3-one
CID 14787819
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
methyl (2S)-1-[(4-methoxyphenyl)methyl]-4-oxo-2-(2-phenylethyl)azetidine-2-carboxylate
CID 102387644

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
The IUPAC name of (2R)-1-benzyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol (CID 34637337) is (2R)-1-benzyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol.
What is the SMILES notation for (2R)-1-benzyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
The canonical SMILES for (2R)-1-benzyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol is COc1ccc([C@@]2(O)C[n+]3ccccc3N2Cc2ccccc2)cc1.
What is the InChIKey of (2R)-1-benzyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
The InChIKey is CPQSXHILNMULLA-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21N2O2/c1-25-19-12-10-18(11-13-19)21(24)16-22-14-6-5-9-20(22)23(21)15-17-7-3-2-4-8-17/h2-14,24H,15-16H2,1H3/q+1/t21-/m0/s1.
What are the key properties of (2R)-1-benzyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
(2R)-1-benzyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol has a molecular weight of 333.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol is sourced from PubChem (CID 34637337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).