7-[2-(bromomethyl)-4-chlorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C13H13BrClN3 — CID 107083183

IUPAC7-[2-(bromomethyl)-4-chlorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESClc1ccc(N2CCn3ccnc3C2)c(CBr)c1
InChIInChI=1S/C13H13BrClN3/c14-8-10-7-11(15)1-2-12(10)18-6-5-17-4-3-16-13(17)9-18/h1-4,7H,5-6,8-9H2
InChIKeySCRWJZHDKPEYJL-UHFFFAOYSA-N
MW326.63 g/mol
LogP3.45
Rot. Bonds2

About 7-[2-(bromomethyl)-4-chlorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-[2-(bromomethyl)-4-chlorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 107083183) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is 7-[2-(bromomethyl)-4-chlorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-[2-(bromomethyl)-4-chlorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID107083183
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC Name7-[2-(bromomethyl)-4-chlorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESClc1ccc(N2CCn3ccnc3C2)c(CBr)c1
InChIInChI=1S/C13H13BrClN3/c14-8-10-7-11(15)1-2-12(10)18-6-5-17-4-3-16-13(17)9-18/h1-4,7H,5-6,8-9H2
InChIKeySCRWJZHDKPEYJL-UHFFFAOYSA-N
XLogP3.45
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(bromomethyl)-4-chlorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-[2-(bromomethyl)-4-chlorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 107083183) is 7-[2-(bromomethyl)-4-chlorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-[2-(bromomethyl)-4-chlorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-[2-(bromomethyl)-4-chlorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is Clc1ccc(N2CCn3ccnc3C2)c(CBr)c1.
What is the InChIKey of 7-[2-(bromomethyl)-4-chlorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is SCRWJZHDKPEYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c14-8-10-7-11(15)1-2-12(10)18-6-5-17-4-3-16-13(17)9-18/h1-4,7H,5-6,8-9H2.
What are the key properties of 7-[2-(bromomethyl)-4-chlorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-[2-(bromomethyl)-4-chlorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 326.63 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(bromomethyl)-4-chlorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 107083183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).