2-[4-(2,4-difluorophenoxy)butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one

C20H19F2N3O2 — CID 162662472

IUPAC2-[4-(2,4-difluorophenoxy)butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
SMILESO=C1c2nc3ccccc3n2CCN1CCCCOc1ccc(F)cc1F
InChIInChI=1S/C20H19F2N3O2/c21-14-7-8-18(15(22)13-14)27-12-4-3-9-24-10-11-25-17-6-2-1-5-16(17)23-19(25)20(24)26/h1-2,5-8,13H,3-4,9-12H2
InChIKeyXFZPAINQVGQPQA-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.63
Rot. Bonds6

About 2-[4-(2,4-difluorophenoxy)butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one

2-[4-(2,4-difluorophenoxy)butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one (PubChem CID 162662472) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenoxy)butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenoxy)butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
PubChem CID162662472
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name2-[4-(2,4-difluorophenoxy)butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
SMILESO=C1c2nc3ccccc3n2CCN1CCCCOc1ccc(F)cc1F
InChIInChI=1S/C20H19F2N3O2/c21-14-7-8-18(15(22)13-14)27-12-4-3-9-24-10-11-25-17-6-2-1-5-16(17)23-19(25)20(24)26/h1-2,5-8,13H,3-4,9-12H2
InChIKeyXFZPAINQVGQPQA-UHFFFAOYSA-N
XLogP3.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.63
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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Related Compounds

Etodesnitazene
CID 149797386
1-Ethyl-2-(2-methoxy-phenoxymethyl)-1H-benzoimidazole
CID 687911
[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl][1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]methanone
CID 10917690
2-(2-((2-(2-Fluorophenoxy)ethyl)thio)-1H-benzo[d]imidazol-1-yl)acetic acid
CID 2772712
5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole
CID 11532065
2-[(2-methoxyphenoxy)methyl]-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole
CID 706275
[1-(2-phenoxyethyl)-1H-benzimidazol-2-yl]methanol
CID 741502
3-[1-(4-Phenoxybutyl)benzimidazol-2-yl]propan-1-ol
CID 2946738
1-[2-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole
CID 761921
1-[2-(4-Methoxy-phenoxy)-ethyl]-1H-benzoimidazol-2-ylamine
CID 780983
2-(phenoxymethyl)-1-propyl-1H-benzimidazole
CID 921242
2-(4-Fluoro-phenoxymethyl)-1-methyl-1H-benzoimidazole
CID 974483

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenoxy)butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one?
The IUPAC name of 2-[4-(2,4-difluorophenoxy)butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one (CID 162662472) is 2-[4-(2,4-difluorophenoxy)butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one.
What is the SMILES notation for 2-[4-(2,4-difluorophenoxy)butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one?
The canonical SMILES for 2-[4-(2,4-difluorophenoxy)butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one is O=C1c2nc3ccccc3n2CCN1CCCCOc1ccc(F)cc1F.
What is the InChIKey of 2-[4-(2,4-difluorophenoxy)butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one?
The InChIKey is XFZPAINQVGQPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c21-14-7-8-18(15(22)13-14)27-12-4-3-9-24-10-11-25-17-6-2-1-5-16(17)23-19(25)20(24)26/h1-2,5-8,13H,3-4,9-12H2.
What are the key properties of 2-[4-(2,4-difluorophenoxy)butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one?
2-[4-(2,4-difluorophenoxy)butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one has a molecular weight of 371.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenoxy)butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one is sourced from PubChem (CID 162662472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).