3-benzyl-6-bromo-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine

C23H21BrN2 — CID 51360724

IUPAC3-benzyl-6-bromo-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3cc(C)c(Br)c(C)n3c2Cc2ccccc2)cc1
InChIInChI=1S/C23H21BrN2/c1-15-9-11-19(12-10-15)23-20(14-18-7-5-4-6-8-18)26-17(3)22(24)16(2)13-21(26)25-23/h4-13H,14H2,1-3H3
InChIKeyWJWLIIFIJFRLAO-UHFFFAOYSA-N
MW405.34 g/mol
LogP6.28
Rot. Bonds3

About 3-benzyl-6-bromo-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine

3-benzyl-6-bromo-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine (PubChem CID 51360724) has the molecular formula C23H21BrN2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 3-benzyl-6-bromo-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-benzyl-6-bromo-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
PubChem CID51360724
Molecular FormulaC23H21BrN2
Molecular Weight405.34 g/mol
Exact Mass404.09
IUPAC Name3-benzyl-6-bromo-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3cc(C)c(Br)c(C)n3c2Cc2ccccc2)cc1
InChIInChI=1S/C23H21BrN2/c1-15-9-11-19(12-10-15)23-20(14-18-7-5-4-6-8-18)26-17(3)22(24)16(2)13-21(26)25-23/h4-13H,14H2,1-3H3
InChIKeyWJWLIIFIJFRLAO-UHFFFAOYSA-N
XLogP6.28
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.34
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromophenyl)imidazo[1,2-a]pyridine
CID 623416
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
2-(4-Bromophenyl)imidazo(1,2-a)pyridine-3-methanamine
CID 2757120
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine
CID 837893
13-Amino-11-(4-methylphenyl)-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene-10,12-dicarbonitrile
CID 699043
3,7-Diphenylimidazo[1,2-a]pyridine
CID 5329339
2-(4-Bromophenyl)-7-methylimidazo[1,2-a]pyridine
CID 717644
2,3-Diphenylimidazo[1,2-a]pyridine
CID 722214
1-[(4-Bromophenyl)methyl]-2-methylbenzimidazole
CID 743662
5-[(4-Bromophenyl)methyl]-2-(p-tolyl)imidazo[4,5-c]pyridine
CID 16077341
7-Methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 667718

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-bromo-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-benzyl-6-bromo-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine (CID 51360724) is 3-benzyl-6-bromo-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-benzyl-6-bromo-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-benzyl-6-bromo-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine is Cc1ccc(-c2nc3cc(C)c(Br)c(C)n3c2Cc2ccccc2)cc1.
What is the InChIKey of 3-benzyl-6-bromo-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is WJWLIIFIJFRLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2/c1-15-9-11-19(12-10-15)23-20(14-18-7-5-4-6-8-18)26-17(3)22(24)16(2)13-21(26)25-23/h4-13H,14H2,1-3H3.
What are the key properties of 3-benzyl-6-bromo-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
3-benzyl-6-bromo-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 405.34 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-bromo-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 51360724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).