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

C12H23ClN6 — CID 70392376

IUPACbis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;hydrochloride
SMILESCC(C)(N=NC(C)(C)N1C=NCC1)N1C=NCC1.Cl
InChIInChI=1S/C12H22N6.ClH/c1-11(2,17-7-5-13-9-17)15-16-12(3,4)18-8-6-14-10-18;/h9-10H,5-8H2,1-4H3;1H
InChIKeyPVNWWDQRUJGXSI-UHFFFAOYSA-N
MW286.81 g/mol
LogP2.02
Rot. Bonds4

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

bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;hydrochloride (PubChem CID 70392376) has the molecular formula C12H23ClN6 and a molecular weight of 286.81 g/mol. Its IUPAC name is bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;hydrochloride.

Molecular Properties

Compound Namebis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;hydrochloride
PubChem CID70392376
Molecular FormulaC12H23ClN6
Molecular Weight286.81 g/mol
Exact Mass286.17
IUPAC Namebis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;hydrochloride
SMILESCC(C)(N=NC(C)(C)N1C=NCC1)N1C=NCC1.Cl
InChIInChI=1S/C12H22N6.ClH/c1-11(2,17-7-5-13-9-17)15-16-12(3,4)18-8-6-14-10-18;/h9-10H,5-8H2,1-4H3;1H
InChIKeyPVNWWDQRUJGXSI-UHFFFAOYSA-N
XLogP2.02
TPSA55.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 52.02
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

2,2'-Azobis[2-(2-imidazolin-yl) propane]
CID 68748419
Bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;dihydrochloride
CID 68748418
1,1-Bis(4,5-dihydroimidazol-1-yl)propyldiazene
CID 68799979
Bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;dihydrochloride
CID 70389056
Bis[1-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene
CID 70389057
Bis[2-(4,5-dihydroimidazol-1-yl)butan-2-yl]diazene;dihydrochloride
CID 70443471
2,2-Dimethyl-1,3,6,8,9,11-hexazatricyclo[8.3.0.03,7]trideca-6,8,10-triene
CID 141608871
2-Azido-1-butyl-3-methyl-4,5-dihydroimidazol-3-ium
CID 166858753
4-(2-azido-4,5-dihydroimidazol-1-yl)-N,N-dimethylbutan-1-amine
CID 166858805
2-Azido-1,3-dipropyl-4,5-dihydroimidazol-1-ium
CID 166862984
2-Azido-1,3-di(propan-2-yl)-4,5-dihydroimidazol-1-ium
CID 166963073
4-(2-azido-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)-N,N-dimethylbutan-1-amine
CID 168819938

Frequently Asked Questions

What is the IUPAC name of bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;hydrochloride?
The IUPAC name of bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;hydrochloride (CID 70392376) is bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;hydrochloride.
What is the SMILES notation for bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;hydrochloride?
The canonical SMILES for bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;hydrochloride is CC(C)(N=NC(C)(C)N1C=NCC1)N1C=NCC1.Cl.
What is the InChIKey of bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;hydrochloride?
The InChIKey is PVNWWDQRUJGXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6.ClH/c1-11(2,17-7-5-13-9-17)15-16-12(3,4)18-8-6-14-10-18;/h9-10H,5-8H2,1-4H3;1H.
What are the key properties of bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;hydrochloride?
bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene;hydrochloride is sourced from PubChem (CID 70392376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).