3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine

C16H15BrClN3 — CID 107080940

IUPAC3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
SMILESCN(Cc1cccc(Cl)c1)c1nc2ccccn2c1CBr
InChIInChI=1S/C16H15BrClN3/c1-20(11-12-5-4-6-13(18)9-12)16-14(10-17)21-8-3-2-7-15(21)19-16/h2-9H,10-11H2,1H3
InChIKeyYPDZHMIXWKOCPS-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.52
Rot. Bonds4

About 3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine

3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine (PubChem CID 107080940) has the molecular formula C16H15BrClN3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
PubChem CID107080940
Molecular FormulaC16H15BrClN3
Molecular Weight364.67 g/mol
Exact Mass363.01
IUPAC Name3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
SMILESCN(Cc1cccc(Cl)c1)c1nc2ccccn2c1CBr
InChIInChI=1S/C16H15BrClN3/c1-20(11-12-5-4-6-13(18)9-12)16-14(10-17)21-8-3-2-7-15(21)19-16/h2-9H,10-11H2,1H3
InChIKeyYPDZHMIXWKOCPS-UHFFFAOYSA-N
XLogP4.52
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine
CID 107080119
3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine
CID 107084185
3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-methylamino]propanenitrile
CID 107079501
3-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-amine
CID 61411893
3-(chloromethyl)-N,N-dimethylimidazo[1,2-a]pyridin-2-amine
CID 43478139
3-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 43528424
N-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61416879
3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 107081266
3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 107083717
2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477821
3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine
CID 63865536
5-bromo-4-N-[(3-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794744

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine (CID 107080940) is 3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine is CN(Cc1cccc(Cl)c1)c1nc2ccccn2c1CBr.
What is the InChIKey of 3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine?
The InChIKey is YPDZHMIXWKOCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3/c1-20(11-12-5-4-6-13(18)9-12)16-14(10-17)21-8-3-2-7-15(21)19-16/h2-9H,10-11H2,1H3.
What are the key properties of 3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine?
3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine has a molecular weight of 364.67 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 107080940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).