7-bromo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole

C10H10BrN3 — CID 82623205

IUPAC7-bromo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole
SMILESBrc1ccc2nc3n(c2c1)CCNC3
InChIInChI=1S/C10H10BrN3/c11-7-1-2-8-9(5-7)14-4-3-12-6-10(14)13-8/h1-2,5,12H,3-4,6H2
InChIKeyBFICIZISJWOCNB-UHFFFAOYSA-N
MW252.11 g/mol
LogP1.90
Rot. Bonds

About 7-bromo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole

7-bromo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole (PubChem CID 82623205) has the molecular formula C10H10BrN3 and a molecular weight of 252.11 g/mol. Its IUPAC name is 7-bromo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name7-bromo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole
PubChem CID82623205
Molecular FormulaC10H10BrN3
Molecular Weight252.11 g/mol
Exact Mass251.01
IUPAC Name7-bromo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole
SMILESBrc1ccc2nc3n(c2c1)CCNC3
InChIInChI=1S/C10H10BrN3/c11-7-1-2-8-9(5-7)14-4-3-12-6-10(14)13-8/h1-2,5,12H,3-4,6H2
InChIKeyBFICIZISJWOCNB-UHFFFAOYSA-N
XLogP1.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole?
The IUPAC name of 7-bromo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole (CID 82623205) is 7-bromo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole.
What is the SMILES notation for 7-bromo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole?
The canonical SMILES for 7-bromo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole is Brc1ccc2nc3n(c2c1)CCNC3.
What is the InChIKey of 7-bromo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole?
The InChIKey is BFICIZISJWOCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c11-7-1-2-8-9(5-7)14-4-3-12-6-10(14)13-8/h1-2,5,12H,3-4,6H2.
What are the key properties of 7-bromo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole?
7-bromo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole has a molecular weight of 252.11 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 82623205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).