bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;2-[2-[2-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol;tetrahydrochloride

C28H56Cl4N12O2 — CID 172849698

IUPACbis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;2-[2-[2-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol;tetrahydrochloride
SMILESCC(C)(/N=N/C(C)(C)C1=NCCN1)C1=NCCN1.CC(C)(/N=N/C(C)(C)C1=NCCN1CCO)C1=NCCN1CCO.Cl.Cl.Cl.Cl
InChIInChI=1S/C16H30N6O2.C12H22N6.4ClH/c1-15(2,13-17-5-7-21(13)9-11-23)19-20-16(3,4)14-18-6-8-22(14)10-12-24;1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10;;;;/h23-24H,5-12H2,1-4H3;5-8H2,1-4H3,(H,13,14)(H,15,16);4*1H/b20-19+;18-17+;;;;
InChIKeyXXBYGNWETIBOFH-JHAYLIRASA-N
MW734.65 g/mol
LogP3.10
Rot. Bonds12

About bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;2-[2-[2-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol;tetrahydrochloride

bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;2-[2-[2-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol;tetrahydrochloride (PubChem CID 172849698) has the molecular formula C28H56Cl4N12O2 and a molecular weight of 734.65 g/mol. Its IUPAC name is bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;2-[2-[2-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol;tetrahydrochloride.

Molecular Properties

Compound Namebis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;2-[2-[2-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol;tetrahydrochloride
PubChem CID172849698
Molecular FormulaC28H56Cl4N12O2
Molecular Weight734.65 g/mol
Exact Mass732.34
IUPAC Namebis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;2-[2-[2-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol;tetrahydrochloride
SMILESCC(C)(/N=N/C(C)(C)C1=NCCN1)C1=NCCN1.CC(C)(/N=N/C(C)(C)C1=NCCN1CCO)C1=NCCN1CCO.Cl.Cl.Cl.Cl
InChIInChI=1S/C16H30N6O2.C12H22N6.4ClH/c1-15(2,13-17-5-7-21(13)9-11-23)19-20-16(3,4)14-18-6-8-22(14)10-12-24;1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10;;;;/h23-24H,5-12H2,1-4H3;5-8H2,1-4H3,(H,13,14)(H,15,16);4*1H/b20-19+;18-17+;;;;
InChIKeyXXBYGNWETIBOFH-JHAYLIRASA-N
XLogP3.10
TPSA169.88 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.65
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;2-[2-[2-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol;tetrahydrochloride with MolForge

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Related Compounds

2-[2-[2-[2-(1-ethoxy-4,5-dihydroimidazol-2-yl)propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol
CID 68655363
bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;hydrate;dihydrochloride
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2-[2-(3-methylpentan-3-yl)-4,5-dihydroimidazol-1-yl]ethanol
CID 58910115
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CID 22033797
bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
CID 159840839
2-(2-methylbutan-2-yl)-4,5-dihydro-1H-imidazole
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CID 174832471
bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;5-methyl-1H-1,2,4-triazole-3-sulfonyl fluoride
CID 161291145
2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride
CID 22242523
2-(4,5-dihydro-1H-imidazol-2-yl)butan-2-amine
CID 55291512
2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67140518
2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide
CID 122612770

Frequently Asked Questions

What is the IUPAC name of bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;2-[2-[2-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol;tetrahydrochloride?
The IUPAC name of bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;2-[2-[2-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol;tetrahydrochloride (CID 172849698) is bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;2-[2-[2-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol;tetrahydrochloride.
What is the SMILES notation for bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;2-[2-[2-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol;tetrahydrochloride?
The canonical SMILES for bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;2-[2-[2-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol;tetrahydrochloride is CC(C)(/N=N/C(C)(C)C1=NCCN1)C1=NCCN1.CC(C)(/N=N/C(C)(C)C1=NCCN1CCO)C1=NCCN1CCO.Cl.Cl.Cl.Cl.
What is the InChIKey of bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;2-[2-[2-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol;tetrahydrochloride?
The InChIKey is XXBYGNWETIBOFH-JHAYLIRASA-N. The full InChI is InChI=1S/C16H30N6O2.C12H22N6.4ClH/c1-15(2,13-17-5-7-21(13)9-11-23)19-20-16(3,4)14-18-6-8-22(14)10-12-24;1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10;;;;/h23-24H,5-12H2,1-4H3;5-8H2,1-4H3,(H,13,14)(H,15,16);4*1H/b20-19+;18-17+;;;;.
What are the key properties of bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;2-[2-[2-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol;tetrahydrochloride?
bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;2-[2-[2-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol;tetrahydrochloride has a molecular weight of 734.65 g/mol, XLogP of 3.10, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;2-[2-[2-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol;tetrahydrochloride is sourced from PubChem (CID 172849698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).