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

C12H24Cl2N6 — CID 70389056

IUPACbis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;dihydrochloride
SMILESCC(CN1C=NCC1)/N=N/C(C)CN1C=NCC1.Cl.Cl
InChIInChI=1S/C12H22N6.2ClH/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;2*1H/b16-15+;;
InChIKeyDSVOTYDLMYFLFQ-VRZXRVJBSA-N
MW323.27 g/mol
LogP1.75
Rot. Bonds6

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

bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;dihydrochloride (PubChem CID 70389056) has the molecular formula C12H24Cl2N6 and a molecular weight of 323.27 g/mol. Its IUPAC name is bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;dihydrochloride.

Molecular Properties

Compound Namebis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;dihydrochloride
PubChem CID70389056
Molecular FormulaC12H24Cl2N6
Molecular Weight323.27 g/mol
Exact Mass322.14
IUPAC Namebis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;dihydrochloride
SMILESCC(CN1C=NCC1)/N=N/C(C)CN1C=NCC1.Cl.Cl
InChIInChI=1S/C12H22N6.2ClH/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;2*1H/b16-15+;;
InChIKeyDSVOTYDLMYFLFQ-VRZXRVJBSA-N
XLogP1.75
TPSA55.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 51.75
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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Frequently Asked Questions

What is the IUPAC name of bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;dihydrochloride?
The IUPAC name of bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;dihydrochloride (CID 70389056) is bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;dihydrochloride.
What is the SMILES notation for bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;dihydrochloride?
The canonical SMILES for bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;dihydrochloride is CC(CN1C=NCC1)/N=N/C(C)CN1C=NCC1.Cl.Cl.
What is the InChIKey of bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;dihydrochloride?
The InChIKey is DSVOTYDLMYFLFQ-VRZXRVJBSA-N. The full InChI is InChI=1S/C12H22N6.2ClH/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;2*1H/b16-15+;;.
What are the key properties of bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;dihydrochloride?
bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;dihydrochloride has a molecular weight of 323.27 g/mol, XLogP of 1.75, 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;dihydrochloride is sourced from PubChem (CID 70389056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).