2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-imidazol-1-id-5-one;rubidium(1+)

C11H19N4ORb — CID 59279730

IUPAC2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-imidazol-1-id-5-one;rubidium(1+)
SMILESCC1=NC(CNC2CCN(C)CC2)C(=O)[N-]1.[Rb+]
InChIInChI=1S/C11H20N4O.Rb/c1-8-13-10(11(16)14-8)7-12-9-3-5-15(2)6-4-9;/h9-10,12H,3-7H2,1-2H3,(H,13,14,16);/q;+1/p-1
InChIKeyZVTAYIOEJJQADY-UHFFFAOYSA-M
MW308.77 g/mol
LogP-2.62
Rot. Bonds3

About 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-imidazol-1-id-5-one;rubidium(1+)

2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-imidazol-1-id-5-one;rubidium(1+) (PubChem CID 59279730) has the molecular formula C11H19N4ORb and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-imidazol-1-id-5-one;rubidium(1+).

Molecular Properties

Compound Name2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-imidazol-1-id-5-one;rubidium(1+)
PubChem CID59279730
Molecular FormulaC11H19N4ORb
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-imidazol-1-id-5-one;rubidium(1+)
SMILESCC1=NC(CNC2CCN(C)CC2)C(=O)[N-]1.[Rb+]
InChIInChI=1S/C11H20N4O.Rb/c1-8-13-10(11(16)14-8)7-12-9-3-5-15(2)6-4-9;/h9-10,12H,3-7H2,1-2H3,(H,13,14,16);/q;+1/p-1
InChIKeyZVTAYIOEJJQADY-UHFFFAOYSA-M
XLogP-2.62
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 5-2.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-imidazol-1-id-5-one;rubidium(1+)?
The IUPAC name of 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-imidazol-1-id-5-one;rubidium(1+) (CID 59279730) is 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-imidazol-1-id-5-one;rubidium(1+).
What is the SMILES notation for 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-imidazol-1-id-5-one;rubidium(1+)?
The canonical SMILES for 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-imidazol-1-id-5-one;rubidium(1+) is CC1=NC(CNC2CCN(C)CC2)C(=O)[N-]1.[Rb+].
What is the InChIKey of 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-imidazol-1-id-5-one;rubidium(1+)?
The InChIKey is ZVTAYIOEJJQADY-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H20N4O.Rb/c1-8-13-10(11(16)14-8)7-12-9-3-5-15(2)6-4-9;/h9-10,12H,3-7H2,1-2H3,(H,13,14,16);/q;+1/p-1.
What are the key properties of 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-imidazol-1-id-5-one;rubidium(1+)?
2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-imidazol-1-id-5-one;rubidium(1+) has a molecular weight of 308.77 g/mol, XLogP of -2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-imidazol-1-id-5-one;rubidium(1+) is sourced from PubChem (CID 59279730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).