bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene

C12H22N6 — CID 70389057

IUPACbis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene
SMILESCC(CN1C=NCC1)/N=N/C(C)CN1C=NCC1
InChIInChI=1S/C12H22N6/c1-11(7-17-5-3-13-9-17)15-16-12(2)8-18-6-4-14-10-18/h9-12H,3-8H2,1-2H3/b16-15+
InChIKeyVZNNTWAXQAJCOR-FOCLMDBBSA-N
MW250.35 g/mol
LogP0.90
Rot. Bonds6

About bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene

bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene (PubChem CID 70389057) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene.

Molecular Properties

Compound Namebis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene
PubChem CID70389057
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Namebis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene
SMILESCC(CN1C=NCC1)/N=N/C(C)CN1C=NCC1
InChIInChI=1S/C12H22N6/c1-11(7-17-5-3-13-9-17)15-16-12(2)8-18-6-4-14-10-18/h9-12H,3-8H2,1-2H3/b16-15+
InChIKeyVZNNTWAXQAJCOR-FOCLMDBBSA-N
XLogP0.90
TPSA55.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3-Di(propan-2-yl)-4,5-dihydroimidazol-1-ium
CID 499184
Tetramethyleneimidazoline
CID 20185343
2,2'-Azobis[2-(2-imidazolin-yl) propane]
CID 68748419
4,5-Dimethyl-1,3-di(propan-2-yl)-4,5-dihydroimidazol-1-ium
CID 90822507
1,1-Di(propan-2-yl)-4,5-dihydroimidazol-1-ium bromide
CID 18625023
1,1-Di(propan-2-yl)-4,5-dihydroimidazol-1-ium
CID 18625024
1-Ethyl-3,4,5-trimethyl-4,5-dihydroimidazol-3-ium
CID 21977237
3,4-Diethyl-1-methyl-4,5-dihydroimidazol-1-ium
CID 21977239
1,4-Diethyl-3-methyl-4,5-dihydroimidazol-1-ium
CID 21977291
1,3,4-Triethyl-5-methyl-4,5-dihydroimidazol-3-ium
CID 21977304
1,3-Diethyl-4-methyl-4,5-dihydroimidazol-1-ium
CID 21977306
(E)-bis(4,5-dihydroimidazol-1-yl)diazene;propane
CID 22731113

Frequently Asked Questions

What is the IUPAC name of bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene?
The IUPAC name of bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene (CID 70389057) is bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene.
What is the SMILES notation for bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene?
The canonical SMILES for bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene is CC(CN1C=NCC1)/N=N/C(C)CN1C=NCC1.
What is the InChIKey of bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene?
The InChIKey is VZNNTWAXQAJCOR-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H22N6/c1-11(7-17-5-3-13-9-17)15-16-12(2)8-18-6-4-14-10-18/h9-12H,3-8H2,1-2H3/b16-15+.
What are the key properties of bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene?
bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene has a molecular weight of 250.35 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene is sourced from PubChem (CID 70389057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).