N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline

C13H9BrCl2N4 — CID 79164376

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline
SMILESClc1cccc(Cl)c1NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C13H9BrCl2N4/c14-11-7-20-8(4-18-12(20)6-17-11)5-19-13-9(15)2-1-3-10(13)16/h1-4,6-7,19H,5H2
InChIKeyKWMKMSTXRROBAF-UHFFFAOYSA-N
MW372.05 g/mol
LogP4.41
Rot. Bonds3

About N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline (PubChem CID 79164376) has the molecular formula C13H9BrCl2N4 and a molecular weight of 372.05 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline
PubChem CID79164376
Molecular FormulaC13H9BrCl2N4
Molecular Weight372.05 g/mol
Exact Mass369.94
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline
SMILESClc1cccc(Cl)c1NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C13H9BrCl2N4/c14-11-7-20-8(4-18-12(20)6-17-11)5-19-13-9(15)2-1-3-10(13)16/h1-4,6-7,19H,5H2
InChIKeyKWMKMSTXRROBAF-UHFFFAOYSA-N
XLogP4.41
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.05
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline (CID 79164376) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline is Clc1cccc(Cl)c1NCc1cnc2cnc(Br)cn12.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline?
The InChIKey is KWMKMSTXRROBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N4/c14-11-7-20-8(4-18-12(20)6-17-11)5-19-13-9(15)2-1-3-10(13)16/h1-4,6-7,19H,5H2.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline has a molecular weight of 372.05 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline is sourced from PubChem (CID 79164376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).