2-[3-(3,4-dichlorophenoxy)propyl]-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one

C19H17Cl2N3O2 — CID 162673904

IUPAC2-[3-(3,4-dichlorophenoxy)propyl]-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one
SMILESO=C1Cn2c(nc3ccccc32)CN1CCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H17Cl2N3O2/c20-14-7-6-13(10-15(14)21)26-9-3-8-23-11-18-22-16-4-1-2-5-17(16)24(18)12-19(23)25/h1-2,4-7,10H,3,8-9,11-12H2
InChIKeyYYBXGQKNLNIYFS-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.15
Rot. Bonds5

About 2-[3-(3,4-dichlorophenoxy)propyl]-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one

2-[3-(3,4-dichlorophenoxy)propyl]-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one (PubChem CID 162673904) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenoxy)propyl]-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenoxy)propyl]-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one
PubChem CID162673904
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name2-[3-(3,4-dichlorophenoxy)propyl]-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one
SMILESO=C1Cn2c(nc3ccccc32)CN1CCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H17Cl2N3O2/c20-14-7-6-13(10-15(14)21)26-9-3-8-23-11-18-22-16-4-1-2-5-17(16)24(18)12-19(23)25/h1-2,4-7,10H,3,8-9,11-12H2
InChIKeyYYBXGQKNLNIYFS-UHFFFAOYSA-N
XLogP4.15
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenoxy)propyl]-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one?
The IUPAC name of 2-[3-(3,4-dichlorophenoxy)propyl]-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one (CID 162673904) is 2-[3-(3,4-dichlorophenoxy)propyl]-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one.
What is the SMILES notation for 2-[3-(3,4-dichlorophenoxy)propyl]-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one?
The canonical SMILES for 2-[3-(3,4-dichlorophenoxy)propyl]-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one is O=C1Cn2c(nc3ccccc32)CN1CCCOc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[3-(3,4-dichlorophenoxy)propyl]-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one?
The InChIKey is YYBXGQKNLNIYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c20-14-7-6-13(10-15(14)21)26-9-3-8-23-11-18-22-16-4-1-2-5-17(16)24(18)12-19(23)25/h1-2,4-7,10H,3,8-9,11-12H2.
What are the key properties of 2-[3-(3,4-dichlorophenoxy)propyl]-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one?
2-[3-(3,4-dichlorophenoxy)propyl]-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one has a molecular weight of 390.27 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenoxy)propyl]-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one is sourced from PubChem (CID 162673904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).