2-[2-[2-[2-(1-ethoxy-4,5-dihydroimidazol-2-yl)propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol

C16H30N6O2 — CID 68655363

IUPAC2-[2-[2-[2-(1-ethoxy-4,5-dihydroimidazol-2-yl)propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCON1CCN=C1C(C)(C)/N=N/C(C)(C)C1=NCCN1CCO
InChIInChI=1S/C16H30N6O2/c1-6-24-22-10-8-18-14(22)16(4,5)20-19-15(2,3)13-17-7-9-21(13)11-12-23/h23H,6-12H2,1-5H3/b20-19+
InChIKeyMXSGHJISTLRZGI-FMQUCBEESA-N
MW338.46 g/mol
LogP1.37
Rot. Bonds8

About 2-[2-[2-[2-(1-ethoxy-4,5-dihydroimidazol-2-yl)propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol

2-[2-[2-[2-(1-ethoxy-4,5-dihydroimidazol-2-yl)propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol (PubChem CID 68655363) has the molecular formula C16H30N6O2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-[2-[2-[2-(1-ethoxy-4,5-dihydroimidazol-2-yl)propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-(1-ethoxy-4,5-dihydroimidazol-2-yl)propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol
PubChem CID68655363
Molecular FormulaC16H30N6O2
Molecular Weight338.46 g/mol
Exact Mass338.24
IUPAC Name2-[2-[2-[2-(1-ethoxy-4,5-dihydroimidazol-2-yl)propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCON1CCN=C1C(C)(C)/N=N/C(C)(C)C1=NCCN1CCO
InChIInChI=1S/C16H30N6O2/c1-6-24-22-10-8-18-14(22)16(4,5)20-19-15(2,3)13-17-7-9-21(13)11-12-23/h23H,6-12H2,1-5H3/b20-19+
InChIKeyMXSGHJISTLRZGI-FMQUCBEESA-N
XLogP1.37
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(1-ethoxy-4,5-dihydroimidazol-2-yl)propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol?
The IUPAC name of 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) is 2-[2-[2-[2-(1-ethoxy-4,5-dihydroimidazol-2-yl)propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[2-[2-(1-ethoxy-4,5-dihydroimidazol-2-yl)propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[2-[2-(1-ethoxy-4,5-dihydroimidazol-2-yl)propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol is CCON1CCN=C1C(C)(C)/N=N/C(C)(C)C1=NCCN1CCO.
What is the InChIKey of 2-[2-[2-[2-(1-ethoxy-4,5-dihydroimidazol-2-yl)propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol?
The InChIKey is MXSGHJISTLRZGI-FMQUCBEESA-N. The full InChI is InChI=1S/C16H30N6O2/c1-6-24-22-10-8-18-14(22)16(4,5)20-19-15(2,3)13-17-7-9-21(13)11-12-23/h23H,6-12H2,1-5H3/b20-19+.
What are the key properties of 2-[2-[2-[2-(1-ethoxy-4,5-dihydroimidazol-2-yl)propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol?
2-[2-[2-[2-(1-ethoxy-4,5-dihydroimidazol-2-yl)propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol has a molecular weight of 338.46 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(1-ethoxy-4,5-dihydroimidazol-2-yl)propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol is sourced from PubChem (CID 68655363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).