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

C22H20BrN3 — CID 166067981

IUPAC4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(Cc2c(-c3ccc(Br)cc3)nc3ccccn23)cc1
InChIInChI=1S/C22H20BrN3/c1-25(2)19-12-6-16(7-13-19)15-20-22(17-8-10-18(23)11-9-17)24-21-5-3-4-14-26(20)21/h3-14H,15H2,1-2H3
InChIKeyMSQGTBIJMIYZFM-UHFFFAOYSA-N
MW406.33 g/mol
LogP5.42
Rot. Bonds4

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

4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylaniline (PubChem CID 166067981) has the molecular formula C22H20BrN3 and a molecular weight of 406.33 g/mol. Its IUPAC name is 4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylaniline
PubChem CID166067981
Molecular FormulaC22H20BrN3
Molecular Weight406.33 g/mol
Exact Mass405.08
IUPAC Name4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(Cc2c(-c3ccc(Br)cc3)nc3ccccn23)cc1
InChIInChI=1S/C22H20BrN3/c1-25(2)19-12-6-16(7-13-19)15-20-22(17-8-10-18(23)11-9-17)24-21-5-3-4-14-26(20)21/h3-14H,15H2,1-2H3
InChIKeyMSQGTBIJMIYZFM-UHFFFAOYSA-N
XLogP5.42
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.33
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline
CID 166067979
4-(3-benzylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethylaniline
CID 56600426
N-methyl-N-pentyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 166067984
N,N,3-trimethyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 166067980
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
N-[[4-(dimethylamino)phenyl]methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118570
2-(4-bromophenyl)-3-fluoroimidazo[1,2-a]pyridine
CID 133059378
2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine
CID 132518642
2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
CID 1040296
methyl 4-[3-[[4-(dimethylamino)phenyl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzoate
CID 11003904
3-(4-bromophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
CID 155255091
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-phenylbutan-2-yl)propanamide
CID 53118637

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylaniline (CID 166067981) is 4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylaniline is CN(C)c1ccc(Cc2c(-c3ccc(Br)cc3)nc3ccccn23)cc1.
What is the InChIKey of 4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylaniline?
The InChIKey is MSQGTBIJMIYZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3/c1-25(2)19-12-6-16(7-13-19)15-20-22(17-8-10-18(23)11-9-17)24-21-5-3-4-14-26(20)21/h3-14H,15H2,1-2H3.
What are the key properties of 4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylaniline?
4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylaniline has a molecular weight of 406.33 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 166067981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).