6-bromo-N-[1-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyrazin-8-amine

C14H12BrClN4 — CID 79958903

IUPAC6-bromo-N-[1-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCC(Nc1nc(Br)cn2ccnc12)c1ccc(Cl)cc1
InChIInChI=1S/C14H12BrClN4/c1-9(10-2-4-11(16)5-3-10)18-13-14-17-6-7-20(14)8-12(15)19-13/h2-9H,1H3,(H,18,19)
InChIKeyCZTGRLZXEDCTEU-UHFFFAOYSA-N
MW351.64 g/mol
LogP4.32
Rot. Bonds3

About 6-bromo-N-[1-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyrazin-8-amine

6-bromo-N-[1-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 79958903) has the molecular formula C14H12BrClN4 and a molecular weight of 351.64 g/mol. Its IUPAC name is 6-bromo-N-[1-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-N-[1-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID79958903
Molecular FormulaC14H12BrClN4
Molecular Weight351.64 g/mol
Exact Mass349.99
IUPAC Name6-bromo-N-[1-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCC(Nc1nc(Br)cn2ccnc12)c1ccc(Cl)cc1
InChIInChI=1S/C14H12BrClN4/c1-9(10-2-4-11(16)5-3-10)18-13-14-17-6-7-20(14)8-12(15)19-13/h2-9H,1H3,(H,18,19)
InChIKeyCZTGRLZXEDCTEU-UHFFFAOYSA-N
XLogP4.32
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.64
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-N-[1-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyrazin-8-amine (CID 79958903) is 6-bromo-N-[1-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-N-[1-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-N-[1-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyrazin-8-amine is CC(Nc1nc(Br)cn2ccnc12)c1ccc(Cl)cc1.
What is the InChIKey of 6-bromo-N-[1-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is CZTGRLZXEDCTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN4/c1-9(10-2-4-11(16)5-3-10)18-13-14-17-6-7-20(14)8-12(15)19-13/h2-9H,1H3,(H,18,19).
What are the key properties of 6-bromo-N-[1-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyrazin-8-amine?
6-bromo-N-[1-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 351.64 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 79958903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).