4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline

C16H16BrN3 — CID 43758785

IUPAC4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
SMILESCc1cc(Br)ccc1NCc1c(C)nc2ccccn12
InChIInChI=1S/C16H16BrN3/c1-11-9-13(17)6-7-14(11)18-10-15-12(2)19-16-5-3-4-8-20(15)16/h3-9,18H,10H2,1-2H3
InChIKeyPJDUUJZFXLUDEM-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.33
Rot. Bonds3

About 4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline

4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline (PubChem CID 43758785) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
PubChem CID43758785
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
SMILESCc1cc(Br)ccc1NCc1c(C)nc2ccccn12
InChIInChI=1S/C16H16BrN3/c1-11-9-13(17)6-7-14(11)18-10-15-12(2)19-16-5-3-4-8-20(15)16/h3-9,18H,10H2,1-2H3
InChIKeyPJDUUJZFXLUDEM-UHFFFAOYSA-N
XLogP4.33
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43772487
3-bromo-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzonitrile
CID 43786518
2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43759055
2-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43764503
2-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43763308
5-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-3-amine
CID 103823924
6-bromo-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-3-amine
CID 103934296
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-2-amine
CID 84758728
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-propan-2-ylaniline
CID 43760553
4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267494
2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 63566085
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 43760891

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
The IUPAC name of 4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline (CID 43758785) is 4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
The canonical SMILES for 4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline is Cc1cc(Br)ccc1NCc1c(C)nc2ccccn12.
What is the InChIKey of 4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
The InChIKey is PJDUUJZFXLUDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-11-9-13(17)6-7-14(11)18-10-15-12(2)19-16-5-3-4-8-20(15)16/h3-9,18H,10H2,1-2H3.
What are the key properties of 4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline has a molecular weight of 330.23 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline is sourced from PubChem (CID 43758785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).