3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine

C21H17BrN2O2 — CID 101390623

IUPAC3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3c(OCc4ccccc4)cccn3c2Br)cc1
InChIInChI=1S/C21H17BrN2O2/c1-25-17-11-9-16(10-12-17)19-20(22)24-13-5-8-18(21(24)23-19)26-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3
InChIKeyNIBLFQCUEUVMNP-UHFFFAOYSA-N
MW409.28 g/mol
LogP5.35
Rot. Bonds5

About 3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine

3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine (PubChem CID 101390623) has the molecular formula C21H17BrN2O2 and a molecular weight of 409.28 g/mol. Its IUPAC name is 3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine
PubChem CID101390623
Molecular FormulaC21H17BrN2O2
Molecular Weight409.28 g/mol
Exact Mass408.05
IUPAC Name3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3c(OCc4ccccc4)cccn3c2Br)cc1
InChIInChI=1S/C21H17BrN2O2/c1-25-17-11-9-16(10-12-17)19-20(22)24-13-5-8-18(21(24)23-19)26-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3
InChIKeyNIBLFQCUEUVMNP-UHFFFAOYSA-N
XLogP5.35
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.28
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(4-methoxyphenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-ol
CID 70511845
8-[(4-methoxyphenyl)methoxy]-N,N,2-trimethylimidazo[1,2-a]pyridin-3-amine
CID 57325066
ethyl 2-[(2-phenyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 42738205
N-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 42738330
N-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 3619073
N-benzyl-2-(2-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 3532130
2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde
CID 172993953
N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 11613407
2,6-bis(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyridine
CID 132564654
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
N-tert-butyl-2-(2-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 4644219
2-(4-methoxyphenyl)-6-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine
CID 71192052

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine?
The IUPAC name of 3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine (CID 101390623) is 3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine?
The canonical SMILES for 3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine is COc1ccc(-c2nc3c(OCc4ccccc4)cccn3c2Br)cc1.
What is the InChIKey of 3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine?
The InChIKey is NIBLFQCUEUVMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O2/c1-25-17-11-9-16(10-12-17)19-20(22)24-13-5-8-18(21(24)23-19)26-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3.
What are the key properties of 3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine?
3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine has a molecular weight of 409.28 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine is sourced from PubChem (CID 101390623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).