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

C12H22N6 — CID 68748419

IUPACbis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene
SMILESCC(C)(N=NC(C)(C)N1C=NCC1)N1C=NCC1
InChIInChI=1S/C12H22N6/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
InChIKeyBPNMICWOWNTYJR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.60
Rot. Bonds4

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

bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene (PubChem CID 68748419) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene.

Molecular Properties

Compound Namebis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene
PubChem CID68748419
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Namebis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene
SMILESCC(C)(N=NC(C)(C)N1C=NCC1)N1C=NCC1
InChIInChI=1S/C12H22N6/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
InChIKeyBPNMICWOWNTYJR-UHFFFAOYSA-N
XLogP1.60
TPSA55.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.60
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[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene?
The IUPAC name of bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene (CID 68748419) is bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene.
What is the SMILES notation for bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene?
The canonical SMILES for bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene is CC(C)(N=NC(C)(C)N1C=NCC1)N1C=NCC1.
What is the InChIKey of bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene?
The InChIKey is BPNMICWOWNTYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/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.
What are the key properties of bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene?
bis[2-(4,5-dihydroimidazol-1-yl)propan-2-yl]diazene has a molecular weight of 250.35 g/mol, XLogP of 1.60, 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 is sourced from PubChem (CID 68748419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).