bis(3-butyl-1,2-dihydroimidazole);dihydrochloride

C14H30Cl2N4 — CID 175338253

IUPACbis(3-butyl-1,2-dihydroimidazole);dihydrochloride
SMILESCCCCN1C=CNC1.CCCCN1C=CNC1.Cl.Cl
InChIInChI=1S/2C7H14N2.2ClH/c2*1-2-3-5-9-6-4-8-7-9;;/h2*4,6,8H,2-3,5,7H2,1H3;2*1H
InChIKeyOLSPEZVKTPYWMB-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.08
Rot. Bonds6

About bis(3-butyl-1,2-dihydroimidazole);dihydrochloride

bis(3-butyl-1,2-dihydroimidazole);dihydrochloride (PubChem CID 175338253) has the molecular formula C14H30Cl2N4 and a molecular weight of 325.33 g/mol. Its IUPAC name is bis(3-butyl-1,2-dihydroimidazole);dihydrochloride.

Molecular Properties

Compound Namebis(3-butyl-1,2-dihydroimidazole);dihydrochloride
PubChem CID175338253
Molecular FormulaC14H30Cl2N4
Molecular Weight325.33 g/mol
Exact Mass324.18
IUPAC Namebis(3-butyl-1,2-dihydroimidazole);dihydrochloride
SMILESCCCCN1C=CNC1.CCCCN1C=CNC1.Cl.Cl
InChIInChI=1S/2C7H14N2.2ClH/c2*1-2-3-5-9-6-4-8-7-9;;/h2*4,6,8H,2-3,5,7H2,1H3;2*1H
InChIKeyOLSPEZVKTPYWMB-UHFFFAOYSA-N
XLogP3.08
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-propyl-1,2-dihydroimidazole
CID 66765033
2-butoxy-4,6-bis[3-(1,2-dihydroimidazol-3-yl)propoxy]-1,3,5-triazine
CID 174341845
1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230
1-butyl-2H-pyridine;hydrochloride
CID 141072734
aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride
CID 172848443
3-(3-methylbut-2-enyl)-1,2-dihydroimidazole
CID 90728024
1-butyl-3-methyl-2H-imidazole
CID 10265934
1-(6-bromohexyl)-3-tetradecyl-2H-imidazole
CID 141476954
1-pentyl-3-propyl-2H-imidazole;hydrochloride
CID 173025272
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929
1-butyl-3-ethyl-2H-imidazole;hydroiodide
CID 173049590
3-[2-(1,2-dihydroimidazol-3-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 146519519

Frequently Asked Questions

What is the IUPAC name of bis(3-butyl-1,2-dihydroimidazole);dihydrochloride?
The IUPAC name of bis(3-butyl-1,2-dihydroimidazole);dihydrochloride (CID 175338253) is bis(3-butyl-1,2-dihydroimidazole);dihydrochloride.
What is the SMILES notation for bis(3-butyl-1,2-dihydroimidazole);dihydrochloride?
The canonical SMILES for bis(3-butyl-1,2-dihydroimidazole);dihydrochloride is CCCCN1C=CNC1.CCCCN1C=CNC1.Cl.Cl.
What is the InChIKey of bis(3-butyl-1,2-dihydroimidazole);dihydrochloride?
The InChIKey is OLSPEZVKTPYWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14N2.2ClH/c2*1-2-3-5-9-6-4-8-7-9;;/h2*4,6,8H,2-3,5,7H2,1H3;2*1H.
What are the key properties of bis(3-butyl-1,2-dihydroimidazole);dihydrochloride?
bis(3-butyl-1,2-dihydroimidazole);dihydrochloride has a molecular weight of 325.33 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-butyl-1,2-dihydroimidazole);dihydrochloride is sourced from PubChem (CID 175338253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).