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

C21H21N2O+ — CID 921271

IUPAC(2R)-1-benzyl-2-(4-methylphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
SMILESCc1ccc([C@@]2(O)C[n+]3ccccc3N2Cc2ccccc2)cc1
InChIInChI=1S/C21H21N2O/c1-17-10-12-19(13-11-17)21(24)16-22-14-6-5-9-20(22)23(21)15-18-7-3-2-4-8-18/h2-14,24H,15-16H2,1H3/q+1/t21-/m0/s1
InChIKeyVUDWNMXTYXWQKA-NRFANRHFSA-N
MW317.41 g/mol
LogP3.15
Rot. Bonds3

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

(2R)-1-benzyl-2-(4-methylphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol (PubChem CID 921271) has the molecular formula C21H21N2O+ and a molecular weight of 317.41 g/mol. Its IUPAC name is (2R)-1-benzyl-2-(4-methylphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol.

Molecular Properties

Compound Name(2R)-1-benzyl-2-(4-methylphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
PubChem CID921271
Molecular FormulaC21H21N2O+
Molecular Weight317.41 g/mol
Exact Mass317.16
IUPAC Name(2R)-1-benzyl-2-(4-methylphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
SMILESCc1ccc([C@@]2(O)C[n+]3ccccc3N2Cc2ccccc2)cc1
InChIInChI=1S/C21H21N2O/c1-17-10-12-19(13-11-17)21(24)16-22-14-6-5-9-20(22)23(21)15-18-7-3-2-4-8-18/h2-14,24H,15-16H2,1H3/q+1/t21-/m0/s1
InChIKeyVUDWNMXTYXWQKA-NRFANRHFSA-N
XLogP3.15
TPSA27.35 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
The IUPAC name of (2R)-1-benzyl-2-(4-methylphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol (CID 921271) is (2R)-1-benzyl-2-(4-methylphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol.
What is the SMILES notation for (2R)-1-benzyl-2-(4-methylphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
The canonical SMILES for (2R)-1-benzyl-2-(4-methylphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol is Cc1ccc([C@@]2(O)C[n+]3ccccc3N2Cc2ccccc2)cc1.
What is the InChIKey of (2R)-1-benzyl-2-(4-methylphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
The InChIKey is VUDWNMXTYXWQKA-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21N2O/c1-17-10-12-19(13-11-17)21(24)16-22-14-6-5-9-20(22)23(21)15-18-7-3-2-4-8-18/h2-14,24H,15-16H2,1H3/q+1/t21-/m0/s1.
What are the key properties of (2R)-1-benzyl-2-(4-methylphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
(2R)-1-benzyl-2-(4-methylphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol has a molecular weight of 317.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-(4-methylphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol is sourced from PubChem (CID 921271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).