2-methyl-1-[2-(2-methyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethyl]-4,5-dihydro-1H-imidazol-1-ium

C10H20N4+2 — CID 59952848

IUPAC2-methyl-1-[2-(2-methyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethyl]-4,5-dihydro-1H-imidazol-1-ium
SMILESCC1=NCC[NH+]1CC[NH+]1CCN=C1C
InChIInChI=1S/C10H18N4/c1-9-11-3-5-13(9)7-8-14-6-4-12-10(14)2/h3-8H2,1-2H3/p+2
InChIKeyGQSCXUFEJOIOCY-UHFFFAOYSA-P
MW196.30 g/mol
LogP-2.38
Rot. Bonds3

About 2-methyl-1-[2-(2-methyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethyl]-4,5-dihydro-1H-imidazol-1-ium

2-methyl-1-[2-(2-methyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethyl]-4,5-dihydro-1H-imidazol-1-ium (PubChem CID 59952848) has the molecular formula C10H20N4+2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethyl]-4,5-dihydro-1H-imidazol-1-ium.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethyl]-4,5-dihydro-1H-imidazol-1-ium
PubChem CID59952848
Molecular FormulaC10H20N4+2
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name2-methyl-1-[2-(2-methyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethyl]-4,5-dihydro-1H-imidazol-1-ium
SMILESCC1=NCC[NH+]1CC[NH+]1CCN=C1C
InChIInChI=1S/C10H18N4/c1-9-11-3-5-13(9)7-8-14-6-4-12-10(14)2/h3-8H2,1-2H3/p+2
InChIKeyGQSCXUFEJOIOCY-UHFFFAOYSA-P
XLogP-2.38
TPSA33.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 5-2.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethyl]-4,5-dihydro-1H-imidazol-1-ium?
The IUPAC name of 2-methyl-1-[2-(2-methyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethyl]-4,5-dihydro-1H-imidazol-1-ium (CID 59952848) is 2-methyl-1-[2-(2-methyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethyl]-4,5-dihydro-1H-imidazol-1-ium.
What is the SMILES notation for 2-methyl-1-[2-(2-methyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethyl]-4,5-dihydro-1H-imidazol-1-ium?
The canonical SMILES for 2-methyl-1-[2-(2-methyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethyl]-4,5-dihydro-1H-imidazol-1-ium is CC1=NCC[NH+]1CC[NH+]1CCN=C1C.
What is the InChIKey of 2-methyl-1-[2-(2-methyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethyl]-4,5-dihydro-1H-imidazol-1-ium?
The InChIKey is GQSCXUFEJOIOCY-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H18N4/c1-9-11-3-5-13(9)7-8-14-6-4-12-10(14)2/h3-8H2,1-2H3/p+2.
What are the key properties of 2-methyl-1-[2-(2-methyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethyl]-4,5-dihydro-1H-imidazol-1-ium?
2-methyl-1-[2-(2-methyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethyl]-4,5-dihydro-1H-imidazol-1-ium has a molecular weight of 196.30 g/mol, XLogP of -2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethyl]-4,5-dihydro-1H-imidazol-1-ium is sourced from PubChem (CID 59952848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).