7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C13H14BrN3 — CID 55134729

IUPAC7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESBrc1cccc(CN2CCn3ccnc3C2)c1
InChIInChI=1S/C13H14BrN3/c14-12-3-1-2-11(8-12)9-16-6-7-17-5-4-15-13(17)10-16/h1-5,8H,6-7,9-10H2
InChIKeyBDESPQREKKFGIV-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.66
Rot. Bonds2

About 7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 55134729) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID55134729
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESBrc1cccc(CN2CCn3ccnc3C2)c1
InChIInChI=1S/C13H14BrN3/c14-12-3-1-2-11(8-12)9-16-6-7-17-5-4-15-13(17)10-16/h1-5,8H,6-7,9-10H2
InChIKeyBDESPQREKKFGIV-UHFFFAOYSA-N
XLogP2.66
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 55134729) is 7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is Brc1cccc(CN2CCn3ccnc3C2)c1.
What is the InChIKey of 7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is BDESPQREKKFGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c14-12-3-1-2-11(8-12)9-16-6-7-17-5-4-15-13(17)10-16/h1-5,8H,6-7,9-10H2.
What are the key properties of 7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 292.18 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 55134729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).