N-(4-bromophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine

C21H16BrN3O2S — CID 171933682

IUPACN-(4-bromophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccn3c2/C=N/c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H16BrN3O2S/c1-28(26,27)18-11-5-15(6-12-18)21-19(25-13-3-2-4-20(25)24-21)14-23-17-9-7-16(22)8-10-17/h2-14H,1H3/b23-14+
InChIKeyRFSRFXUGXWLRIE-OEAKJJBVSA-N
MW454.35 g/mol
LogP4.92
Rot. Bonds4

About N-(4-bromophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine

N-(4-bromophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine (PubChem CID 171933682) has the molecular formula C21H16BrN3O2S and a molecular weight of 454.35 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
PubChem CID171933682
Molecular FormulaC21H16BrN3O2S
Molecular Weight454.35 g/mol
Exact Mass453.01
IUPAC NameN-(4-bromophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccn3c2/C=N/c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H16BrN3O2S/c1-28(26,27)18-11-5-15(6-12-18)21-19(25-13-3-2-4-20(25)24-21)14-23-17-9-7-16(22)8-10-17/h2-14H,1H3/b23-14+
InChIKeyRFSRFXUGXWLRIE-OEAKJJBVSA-N
XLogP4.92
TPSA63.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.35
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine?
The IUPAC name of N-(4-bromophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine (CID 171933682) is N-(4-bromophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine?
The canonical SMILES for N-(4-bromophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine is CS(=O)(=O)c1ccc(-c2nc3ccccn3c2/C=N/c2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine?
The InChIKey is RFSRFXUGXWLRIE-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H16BrN3O2S/c1-28(26,27)18-11-5-15(6-12-18)21-19(25-13-3-2-4-20(25)24-21)14-23-17-9-7-16(22)8-10-17/h2-14H,1H3/b23-14+.
What are the key properties of N-(4-bromophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine?
N-(4-bromophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine has a molecular weight of 454.35 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine is sourced from PubChem (CID 171933682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).