bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;hydrate;dihydrochloride

C12H26Cl2N6O — CID 168862103

IUPACbis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;hydrate;dihydrochloride
SMILESCC(C)(/N=N/C(C)(C)C1=NCCN1)C1=NCCN1.Cl.Cl.O
InChIInChI=1S/C12H22N6.2ClH.H2O/c1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10;;;/h5-8H2,1-4H3,(H,13,14)(H,15,16);2*1H;1H2/b18-17+;;;
InChIKeyCMJQDTVSKUYZDV-GLCFPVLVSA-N
MW341.29 g/mol
LogP1.02
Rot. Bonds4

About bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;hydrate;dihydrochloride

bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;hydrate;dihydrochloride (PubChem CID 168862103) has the molecular formula C12H26Cl2N6O and a molecular weight of 341.29 g/mol. Its IUPAC name is bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;hydrate;dihydrochloride.

Molecular Properties

Compound Namebis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;hydrate;dihydrochloride
PubChem CID168862103
Molecular FormulaC12H26Cl2N6O
Molecular Weight341.29 g/mol
Exact Mass340.15
IUPAC Namebis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;hydrate;dihydrochloride
SMILESCC(C)(/N=N/C(C)(C)C1=NCCN1)C1=NCCN1.Cl.Cl.O
InChIInChI=1S/C12H22N6.2ClH.H2O/c1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10;;;/h5-8H2,1-4H3,(H,13,14)(H,15,16);2*1H;1H2/b18-17+;;;
InChIKeyCMJQDTVSKUYZDV-GLCFPVLVSA-N
XLogP1.02
TPSA105.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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;hydrate;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;hydrate;dihydrochloride?
The IUPAC name of bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;hydrate;dihydrochloride (CID 168862103) is bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;hydrate;dihydrochloride.
What is the SMILES notation for bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;hydrate;dihydrochloride?
The canonical SMILES for bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;hydrate;dihydrochloride is CC(C)(/N=N/C(C)(C)C1=NCCN1)C1=NCCN1.Cl.Cl.O.
What is the InChIKey of bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;hydrate;dihydrochloride?
The InChIKey is CMJQDTVSKUYZDV-GLCFPVLVSA-N. The full InChI is InChI=1S/C12H22N6.2ClH.H2O/c1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10;;;/h5-8H2,1-4H3,(H,13,14)(H,15,16);2*1H;1H2/b18-17+;;;.
What are the key properties of bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;hydrate;dihydrochloride?
bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;hydrate;dihydrochloride has a molecular weight of 341.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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;hydrate;dihydrochloride is sourced from PubChem (CID 168862103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).