2-propan-2-yl-3,4,6,7,8,9-hexahydropyrazino[1,2-a]benzimidazol-1-one

C13H19N3O — CID 58043821

IUPAC2-propan-2-yl-3,4,6,7,8,9-hexahydropyrazino[1,2-a]benzimidazol-1-one
SMILESCC(C)N1CCn2c(nc3c2CCCC3)C1=O
InChIInChI=1S/C13H19N3O/c1-9(2)15-7-8-16-11-6-4-3-5-10(11)14-12(16)13(15)17/h9H,3-8H2,1-2H3
InChIKeyKUBGLZCKRVSRRE-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.63
Rot. Bonds1

About 2-propan-2-yl-3,4,6,7,8,9-hexahydropyrazino[1,2-a]benzimidazol-1-one

2-propan-2-yl-3,4,6,7,8,9-hexahydropyrazino[1,2-a]benzimidazol-1-one (PubChem CID 58043821) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-propan-2-yl-3,4,6,7,8,9-hexahydropyrazino[1,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name2-propan-2-yl-3,4,6,7,8,9-hexahydropyrazino[1,2-a]benzimidazol-1-one
PubChem CID58043821
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-propan-2-yl-3,4,6,7,8,9-hexahydropyrazino[1,2-a]benzimidazol-1-one
SMILESCC(C)N1CCn2c(nc3c2CCCC3)C1=O
InChIInChI=1S/C13H19N3O/c1-9(2)15-7-8-16-11-6-4-3-5-10(11)14-12(16)13(15)17/h9H,3-8H2,1-2H3
InChIKeyKUBGLZCKRVSRRE-UHFFFAOYSA-N
XLogP1.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3,4,6,7,8,9-hexahydropyrazino[1,2-a]benzimidazol-1-one?
The IUPAC name of 2-propan-2-yl-3,4,6,7,8,9-hexahydropyrazino[1,2-a]benzimidazol-1-one (CID 58043821) is 2-propan-2-yl-3,4,6,7,8,9-hexahydropyrazino[1,2-a]benzimidazol-1-one.
What is the SMILES notation for 2-propan-2-yl-3,4,6,7,8,9-hexahydropyrazino[1,2-a]benzimidazol-1-one?
The canonical SMILES for 2-propan-2-yl-3,4,6,7,8,9-hexahydropyrazino[1,2-a]benzimidazol-1-one is CC(C)N1CCn2c(nc3c2CCCC3)C1=O.
What is the InChIKey of 2-propan-2-yl-3,4,6,7,8,9-hexahydropyrazino[1,2-a]benzimidazol-1-one?
The InChIKey is KUBGLZCKRVSRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)15-7-8-16-11-6-4-3-5-10(11)14-12(16)13(15)17/h9H,3-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-3,4,6,7,8,9-hexahydropyrazino[1,2-a]benzimidazol-1-one?
2-propan-2-yl-3,4,6,7,8,9-hexahydropyrazino[1,2-a]benzimidazol-1-one has a molecular weight of 233.31 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3,4,6,7,8,9-hexahydropyrazino[1,2-a]benzimidazol-1-one is sourced from PubChem (CID 58043821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).