(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'}

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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).