bis(1H-imidazol-2-yl)diazene;propane;quinoline;hydrochloride

C18H22ClN7 — CID 174665696

IUPACbis(1H-imidazol-2-yl)diazene;propane;quinoline;hydrochloride
SMILESCCC.Cl.c1c[nH]c(N=Nc2ncc[nH]2)n1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C6H6N6.C3H8.ClH/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-8-5(7-1)11-12-6-9-3-4-10-6;1-3-2;/h1-7H;1-4H,(H,7,8)(H,9,10);3H2,1-2H3;1H
InChIKeyZWKBSNCGUZPMGP-UHFFFAOYSA-N
MW371.88 g/mol
LogP5.62
Rot. Bonds2

About bis(1H-imidazol-2-yl)diazene;propane;quinoline;hydrochloride

bis(1H-imidazol-2-yl)diazene;propane;quinoline;hydrochloride (PubChem CID 174665696) has the molecular formula C18H22ClN7 and a molecular weight of 371.88 g/mol. Its IUPAC name is bis(1H-imidazol-2-yl)diazene;propane;quinoline;hydrochloride.

Molecular Properties

Compound Namebis(1H-imidazol-2-yl)diazene;propane;quinoline;hydrochloride
PubChem CID174665696
Molecular FormulaC18H22ClN7
Molecular Weight371.88 g/mol
Exact Mass371.16
IUPAC Namebis(1H-imidazol-2-yl)diazene;propane;quinoline;hydrochloride
SMILESCCC.Cl.c1c[nH]c(N=Nc2ncc[nH]2)n1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C6H6N6.C3H8.ClH/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-8-5(7-1)11-12-6-9-3-4-10-6;1-3-2;/h1-7H;1-4H,(H,7,8)(H,9,10);3H2,1-2H3;1H
InChIKeyZWKBSNCGUZPMGP-UHFFFAOYSA-N
XLogP5.62
TPSA94.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.88
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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(1H-imidazol-2-yl)diazene;propane;quinoline;hydrochloride?
The IUPAC name of bis(1H-imidazol-2-yl)diazene;propane;quinoline;hydrochloride (CID 174665696) is bis(1H-imidazol-2-yl)diazene;propane;quinoline;hydrochloride.
What is the SMILES notation for bis(1H-imidazol-2-yl)diazene;propane;quinoline;hydrochloride?
The canonical SMILES for bis(1H-imidazol-2-yl)diazene;propane;quinoline;hydrochloride is CCC.Cl.c1c[nH]c(N=Nc2ncc[nH]2)n1.c1ccc2ncccc2c1.
What is the InChIKey of bis(1H-imidazol-2-yl)diazene;propane;quinoline;hydrochloride?
The InChIKey is ZWKBSNCGUZPMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C6H6N6.C3H8.ClH/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-8-5(7-1)11-12-6-9-3-4-10-6;1-3-2;/h1-7H;1-4H,(H,7,8)(H,9,10);3H2,1-2H3;1H.
What are the key properties of bis(1H-imidazol-2-yl)diazene;propane;quinoline;hydrochloride?
bis(1H-imidazol-2-yl)diazene;propane;quinoline;hydrochloride has a molecular weight of 371.88 g/mol, XLogP of 5.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-imidazol-2-yl)diazene;propane;quinoline;hydrochloride is sourced from PubChem (CID 174665696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).