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

C20H19N2O+ — CID 854640

IUPAC(2S)-1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
SMILESO[C@@]1(c2ccccc2)C[n+]2ccccc2N1Cc1ccccc1
InChIInChI=1S/C20H19N2O/c23-20(18-11-5-2-6-12-18)16-21-14-8-7-13-19(21)22(20)15-17-9-3-1-4-10-17/h1-14,23H,15-16H2/q+1/t20-/m1/s1
InChIKeyPWHFFJAUSAPAAW-HXUWFJFHSA-N
MW303.39 g/mol
LogP2.84
Rot. Bonds3

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

(2S)-1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol (PubChem CID 854640) has the molecular formula C20H19N2O+ and a molecular weight of 303.39 g/mol. Its IUPAC name is (2S)-1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol.

Molecular Properties

Compound Name(2S)-1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
PubChem CID854640
Molecular FormulaC20H19N2O+
Molecular Weight303.39 g/mol
Exact Mass303.15
IUPAC Name(2S)-1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
SMILESO[C@@]1(c2ccccc2)C[n+]2ccccc2N1Cc1ccccc1
InChIInChI=1S/C20H19N2O/c23-20(18-11-5-2-6-12-18)16-21-14-8-7-13-19(21)22(20)15-17-9-3-1-4-10-17/h1-14,23H,15-16H2/q+1/t20-/m1/s1
InChIKeyPWHFFJAUSAPAAW-HXUWFJFHSA-N
XLogP2.84
TPSA27.35 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.84
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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Related Compounds

(2R)-1-benzyl-2-(4-methylphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
CID 921271
1-benzyl-2-(4-methylphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide
CID 20994480
(2R)-1-benzyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
CID 34637337
1-benzyl-2-(4-nitrophenyl)-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol
CID 67300619
(2R)-2-(4-fluorophenyl)-1-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
CID 6939947
3-benzyl-2-methylidene-4-phenyl-1,3-thiazolidin-4-ol
CID 139469582
1-benzyl-2-(4-fluorophenyl)-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol
CID 4691141
2-phenyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide
CID 67300735
(2S)-1-cyclobutyl-2-phenyl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol
CID 56658106
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-methylpiperidin-4-ol
CID 10845913
1-benzyl-3,3-dichloro-5-hydroxy-4,4-dimethyl-5-phenylpyrrolidin-2-one
CID 134847338

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
The IUPAC name of (2S)-1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol (CID 854640) is (2S)-1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol.
What is the SMILES notation for (2S)-1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
The canonical SMILES for (2S)-1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol is O[C@@]1(c2ccccc2)C[n+]2ccccc2N1Cc1ccccc1.
What is the InChIKey of (2S)-1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
The InChIKey is PWHFFJAUSAPAAW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19N2O/c23-20(18-11-5-2-6-12-18)16-21-14-8-7-13-19(21)22(20)15-17-9-3-1-4-10-17/h1-14,23H,15-16H2/q+1/t20-/m1/s1.
What are the key properties of (2S)-1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
(2S)-1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol has a molecular weight of 303.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol is sourced from PubChem (CID 854640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).