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

C12H20BrN3 — CID 65013150

IUPAC7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCCCC(CBr)CN1CCn2ccnc2C1
InChIInChI=1S/C12H20BrN3/c1-2-3-11(8-13)9-15-6-7-16-5-4-14-12(16)10-15/h4-5,11H,2-3,6-10H2,1H3
InChIKeyARPLICLFKIRIPL-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.51
Rot. Bonds5

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

7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 65013150) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID65013150
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCCCC(CBr)CN1CCn2ccnc2C1
InChIInChI=1S/C12H20BrN3/c1-2-3-11(8-13)9-15-6-7-16-5-4-14-12(16)10-15/h4-5,11H,2-3,6-10H2,1H3
InChIKeyARPLICLFKIRIPL-UHFFFAOYSA-N
XLogP2.51
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 65013150) is 7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CCCC(CBr)CN1CCn2ccnc2C1.
What is the InChIKey of 7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is ARPLICLFKIRIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-2-3-11(8-13)9-15-6-7-16-5-4-14-12(16)10-15/h4-5,11H,2-3,6-10H2,1H3.
What are the key properties of 7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 286.22 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 65013150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).