8-(1-benzyl-4,5-dihydroimidazol-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydroiodide

C17H25IN4O — CID 166351025

IUPAC8-(1-benzyl-4,5-dihydroimidazol-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydroiodide
SMILESI.c1ccc(CN2CCN=C2N2CCN3CCOCC3C2)cc1
InChIInChI=1S/C17H24N4O.HI/c1-2-4-15(5-3-1)12-20-7-6-18-17(20)21-9-8-19-10-11-22-14-16(19)13-21;/h1-5,16H,6-14H2;1H
InChIKeyGBINSFHXPYXQPO-UHFFFAOYSA-N
MW428.32 g/mol
LogP1.49
Rot. Bonds2

About 8-(1-benzyl-4,5-dihydroimidazol-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydroiodide

8-(1-benzyl-4,5-dihydroimidazol-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydroiodide (PubChem CID 166351025) has the molecular formula C17H25IN4O and a molecular weight of 428.32 g/mol. Its IUPAC name is 8-(1-benzyl-4,5-dihydroimidazol-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydroiodide.

Molecular Properties

Compound Name8-(1-benzyl-4,5-dihydroimidazol-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydroiodide
PubChem CID166351025
Molecular FormulaC17H25IN4O
Molecular Weight428.32 g/mol
Exact Mass428.11
IUPAC Name8-(1-benzyl-4,5-dihydroimidazol-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydroiodide
SMILESI.c1ccc(CN2CCN=C2N2CCN3CCOCC3C2)cc1
InChIInChI=1S/C17H24N4O.HI/c1-2-4-15(5-3-1)12-20-7-6-18-17(20)21-9-8-19-10-11-22-14-16(19)13-21;/h1-5,16H,6-14H2;1H
InChIKeyGBINSFHXPYXQPO-UHFFFAOYSA-N
XLogP1.49
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(1-benzyl-4,5-dihydroimidazol-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydroiodide with MolForge

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Related Compounds

(10aS)-2-(2-morpholin-4-ylethyl)-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-imine;dihydrochloride
CID 127038106
(7S,9aS)-7-(fluoromethyl)-8-(phenylmethyl)octahydropyrazino[2,1-c][1,4]oxazine
CID 59215904
8-benzyl-7-(fluoromethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 72533191
(7S)-8-benzyl-7-(fluoromethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 143423213
N'-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376262
N'-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378214
N'-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378215
N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378274
N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378275
N-ethyl-N'-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109379121
4-[1-(2,4-difluorophenyl)propyl]-N'-methyl-N-(4-morpholin-4-ylbutyl)piperazine-1-carboximidamide
CID 109544788
N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide
CID 110919457

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzyl-4,5-dihydroimidazol-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydroiodide?
The IUPAC name of 8-(1-benzyl-4,5-dihydroimidazol-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydroiodide (CID 166351025) is 8-(1-benzyl-4,5-dihydroimidazol-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydroiodide.
What is the SMILES notation for 8-(1-benzyl-4,5-dihydroimidazol-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydroiodide?
The canonical SMILES for 8-(1-benzyl-4,5-dihydroimidazol-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydroiodide is I.c1ccc(CN2CCN=C2N2CCN3CCOCC3C2)cc1.
What is the InChIKey of 8-(1-benzyl-4,5-dihydroimidazol-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydroiodide?
The InChIKey is GBINSFHXPYXQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.HI/c1-2-4-15(5-3-1)12-20-7-6-18-17(20)21-9-8-19-10-11-22-14-16(19)13-21;/h1-5,16H,6-14H2;1H.
What are the key properties of 8-(1-benzyl-4,5-dihydroimidazol-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydroiodide?
8-(1-benzyl-4,5-dihydroimidazol-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydroiodide has a molecular weight of 428.32 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzyl-4,5-dihydroimidazol-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydroiodide is sourced from PubChem (CID 166351025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).