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

C20H19BrN2O — CID 2852988

IUPAC1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide
SMILESOC1(c2ccccc2)C[n+]2ccccc2N1Cc1ccccc1.[Br-]
InChIInChI=1S/C20H19N2O.BrH/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;1H/q+1;/p-1
InChIKeyNIUCHKSKHUNVJO-UHFFFAOYSA-M
MW383.29 g/mol
LogP-0.16
Rot. Bonds3

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

1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide (PubChem CID 2852988) has the molecular formula C20H19BrN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is 1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide.

Molecular Properties

Compound Name1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide
PubChem CID2852988
Molecular FormulaC20H19BrN2O
Molecular Weight383.29 g/mol
Exact Mass382.07
IUPAC Name1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide
SMILESOC1(c2ccccc2)C[n+]2ccccc2N1Cc1ccccc1.[Br-]
InChIInChI=1S/C20H19N2O.BrH/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;1H/q+1;/p-1
InChIKeyNIUCHKSKHUNVJO-UHFFFAOYSA-M
XLogP-0.16
TPSA27.35 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 5-0.16
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 1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide?
The IUPAC name of 1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide (CID 2852988) is 1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide.
What is the SMILES notation for 1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide?
The canonical SMILES for 1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide is OC1(c2ccccc2)C[n+]2ccccc2N1Cc1ccccc1.[Br-].
What is the InChIKey of 1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide?
The InChIKey is NIUCHKSKHUNVJO-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19N2O.BrH/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;1H/q+1;/p-1.
What are the key properties of 1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide?
1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide has a molecular weight of 383.29 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide is sourced from PubChem (CID 2852988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).