6-bromo-2-(cyclopropylmethyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one

C14H14BrN3O — CID 166626163

IUPAC6-bromo-2-(cyclopropylmethyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
SMILESO=C1c2nc3cccc(Br)c3n2CCN1CC1CC1
InChIInChI=1S/C14H14BrN3O/c15-10-2-1-3-11-12(10)18-7-6-17(8-9-4-5-9)14(19)13(18)16-11/h1-3,9H,4-8H2
InChIKeyYNZSFAMFHMTZEJ-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.66
Rot. Bonds2

About 6-bromo-2-(cyclopropylmethyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one

6-bromo-2-(cyclopropylmethyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one (PubChem CID 166626163) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 6-bromo-2-(cyclopropylmethyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name6-bromo-2-(cyclopropylmethyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
PubChem CID166626163
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name6-bromo-2-(cyclopropylmethyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
SMILESO=C1c2nc3cccc(Br)c3n2CCN1CC1CC1
InChIInChI=1S/C14H14BrN3O/c15-10-2-1-3-11-12(10)18-7-6-17(8-9-4-5-9)14(19)13(18)16-11/h1-3,9H,4-8H2
InChIKeyYNZSFAMFHMTZEJ-UHFFFAOYSA-N
XLogP2.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-bromo-2-(cyclopropylmethyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one 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 6-bromo-2-(cyclopropylmethyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one?
The IUPAC name of 6-bromo-2-(cyclopropylmethyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one (CID 166626163) is 6-bromo-2-(cyclopropylmethyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one.
What is the SMILES notation for 6-bromo-2-(cyclopropylmethyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one?
The canonical SMILES for 6-bromo-2-(cyclopropylmethyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one is O=C1c2nc3cccc(Br)c3n2CCN1CC1CC1.
What is the InChIKey of 6-bromo-2-(cyclopropylmethyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one?
The InChIKey is YNZSFAMFHMTZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-10-2-1-3-11-12(10)18-7-6-17(8-9-4-5-9)14(19)13(18)16-11/h1-3,9H,4-8H2.
What are the key properties of 6-bromo-2-(cyclopropylmethyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one?
6-bromo-2-(cyclopropylmethyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one has a molecular weight of 320.19 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 6-bromo-2-(cyclopropylmethyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one is sourced from PubChem (CID 166626163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).