bis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride

C26H44Cl4N8 — CID 70450555

IUPACbis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride
SMILESCCc1cc(NC2=NCCN2)cc(CC)c1N.CCc1cc(NC2=NCCN2)cc(CC)c1N.Cl.Cl.Cl.Cl
InChIInChI=1S/2C13H20N4.4ClH/c2*1-3-9-7-11(8-10(4-2)12(9)14)17-13-15-5-6-16-13;;;;/h2*7-8H,3-6,14H2,1-2H3,(H2,15,16,17);4*1H
InChIKeyROZIWEOPWYPTDL-UHFFFAOYSA-N
MW610.51 g/mol
LogP5.22
Rot. Bonds6

About bis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride

bis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride (PubChem CID 70450555) has the molecular formula C26H44Cl4N8 and a molecular weight of 610.51 g/mol. Its IUPAC name is bis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride.

Molecular Properties

Compound Namebis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride
PubChem CID70450555
Molecular FormulaC26H44Cl4N8
Molecular Weight610.51 g/mol
Exact Mass608.24
IUPAC Namebis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride
SMILESCCc1cc(NC2=NCCN2)cc(CC)c1N.CCc1cc(NC2=NCCN2)cc(CC)c1N.Cl.Cl.Cl.Cl
InChIInChI=1S/2C13H20N4.4ClH/c2*1-3-9-7-11(8-10(4-2)12(9)14)17-13-15-5-6-16-13;;;;/h2*7-8H,3-6,14H2,1-2H3,(H2,15,16,17);4*1H
InChIKeyROZIWEOPWYPTDL-UHFFFAOYSA-N
XLogP5.22
TPSA124.88 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500610.51
LogP ≤ 55.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride?
The IUPAC name of bis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride (CID 70450555) is bis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride.
What is the SMILES notation for bis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride?
The canonical SMILES for bis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride is CCc1cc(NC2=NCCN2)cc(CC)c1N.CCc1cc(NC2=NCCN2)cc(CC)c1N.Cl.Cl.Cl.Cl.
What is the InChIKey of bis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride?
The InChIKey is ROZIWEOPWYPTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H20N4.4ClH/c2*1-3-9-7-11(8-10(4-2)12(9)14)17-13-15-5-6-16-13;;;;/h2*7-8H,3-6,14H2,1-2H3,(H2,15,16,17);4*1H.
What are the key properties of bis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride?
bis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride has a molecular weight of 610.51 g/mol, XLogP of 5.22, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride is sourced from PubChem (CID 70450555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).