1,5-dimethylimidazole;ethane;methane;tris(1-methylimidazole)

C20H36N8 — CID 158506045

IUPAC1,5-dimethylimidazole;ethane;methane;tris(1-methylimidazole)
SMILESC.CC.Cc1cncn1C.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1
InChIInChI=1S/C5H8N2.3C4H6N2.C2H6.CH4/c1-5-3-6-4-7(5)2;3*1-6-3-2-5-4-6;1-2;/h3-4H,1-2H3;3*2-4H,1H3;1-2H3;1H4
InChIKeyHKMAIFRPAUGCIE-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.65
Rot. Bonds

About 1,5-dimethylimidazole;ethane;methane;tris(1-methylimidazole)

1,5-dimethylimidazole;ethane;methane;tris(1-methylimidazole) (PubChem CID 158506045) has the molecular formula C20H36N8 and a molecular weight of 388.56 g/mol. Its IUPAC name is 1,5-dimethylimidazole;ethane;methane;tris(1-methylimidazole).

Molecular Properties

Compound Name1,5-dimethylimidazole;ethane;methane;tris(1-methylimidazole)
PubChem CID158506045
Molecular FormulaC20H36N8
Molecular Weight388.56 g/mol
Exact Mass388.31
IUPAC Name1,5-dimethylimidazole;ethane;methane;tris(1-methylimidazole)
SMILESC.CC.Cc1cncn1C.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1
InChIInChI=1S/C5H8N2.3C4H6N2.C2H6.CH4/c1-5-3-6-4-7(5)2;3*1-6-3-2-5-4-6;1-2;/h3-4H,1-2H3;3*2-4H,1H3;1-2H3;1H4
InChIKeyHKMAIFRPAUGCIE-UHFFFAOYSA-N
XLogP3.65
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylimidazole;ethane;methane;tris(1-methylimidazole)?
The IUPAC name of 1,5-dimethylimidazole;ethane;methane;tris(1-methylimidazole) (CID 158506045) is 1,5-dimethylimidazole;ethane;methane;tris(1-methylimidazole).
What is the SMILES notation for 1,5-dimethylimidazole;ethane;methane;tris(1-methylimidazole)?
The canonical SMILES for 1,5-dimethylimidazole;ethane;methane;tris(1-methylimidazole) is C.CC.Cc1cncn1C.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.
What is the InChIKey of 1,5-dimethylimidazole;ethane;methane;tris(1-methylimidazole)?
The InChIKey is HKMAIFRPAUGCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.3C4H6N2.C2H6.CH4/c1-5-3-6-4-7(5)2;3*1-6-3-2-5-4-6;1-2;/h3-4H,1-2H3;3*2-4H,1H3;1-2H3;1H4.
What are the key properties of 1,5-dimethylimidazole;ethane;methane;tris(1-methylimidazole)?
1,5-dimethylimidazole;ethane;methane;tris(1-methylimidazole) has a molecular weight of 388.56 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylimidazole;ethane;methane;tris(1-methylimidazole) is sourced from PubChem (CID 158506045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).