3-benzyl-6-bromo-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine

C22H19BrN2 — CID 51360723

IUPAC3-benzyl-6-bromo-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine
SMILESCc1cc2nc(-c3ccccc3)c(Cc3ccccc3)n2c(C)c1Br
InChIInChI=1S/C22H19BrN2/c1-15-13-20-24-22(18-11-7-4-8-12-18)19(25(20)16(2)21(15)23)14-17-9-5-3-6-10-17/h3-13H,14H2,1-2H3
InChIKeyKOZZHPOBKMTGIN-UHFFFAOYSA-N
MW391.31 g/mol
LogP5.97
Rot. Bonds3

About 3-benzyl-6-bromo-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine

3-benzyl-6-bromo-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine (PubChem CID 51360723) has the molecular formula C22H19BrN2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 3-benzyl-6-bromo-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-benzyl-6-bromo-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine
PubChem CID51360723
Molecular FormulaC22H19BrN2
Molecular Weight391.31 g/mol
Exact Mass390.07
IUPAC Name3-benzyl-6-bromo-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine
SMILESCc1cc2nc(-c3ccccc3)c(Cc3ccccc3)n2c(C)c1Br
InChIInChI=1S/C22H19BrN2/c1-15-13-20-24-22(18-11-7-4-8-12-18)19(25(20)16(2)21(15)23)14-17-9-5-3-6-10-17/h3-13H,14H2,1-2H3
InChIKeyKOZZHPOBKMTGIN-UHFFFAOYSA-N
XLogP5.97
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.31
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromophenyl)imidazo[1,2-a]pyridine
CID 623416
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
3,7-Diphenylimidazo[1,2-a]pyridine
CID 5329339
2,6-Dphenyl-8-propyl-1-deazapurine
CID 16109427
2,6-diphenyl-8-tButyl-1-deazapurine
CID 16109434
4-[2-(3-Bromo-4-fluorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745379
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-(m-tolyl)imidazo[4,5-c]pyridine
CID 11740366

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-bromo-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 3-benzyl-6-bromo-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine (CID 51360723) is 3-benzyl-6-bromo-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-benzyl-6-bromo-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-benzyl-6-bromo-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine is Cc1cc2nc(-c3ccccc3)c(Cc3ccccc3)n2c(C)c1Br.
What is the InChIKey of 3-benzyl-6-bromo-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine?
The InChIKey is KOZZHPOBKMTGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2/c1-15-13-20-24-22(18-11-7-4-8-12-18)19(25(20)16(2)21(15)23)14-17-9-5-3-6-10-17/h3-13H,14H2,1-2H3.
What are the key properties of 3-benzyl-6-bromo-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine?
3-benzyl-6-bromo-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine has a molecular weight of 391.31 g/mol, XLogP of 5.97, 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-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 51360723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).