2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+)

C6H10N3ORb — CID 59279704

IUPAC2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+)
SMILESCNCC1N=C(C)[N-]C1=O.[Rb+]
InChIInChI=1S/C6H11N3O.Rb/c1-4-8-5(3-7-2)6(10)9-4;/h5,7H,3H2,1-2H3,(H,8,9,10);/q;+1/p-1
InChIKeyGBROHEZLTLVVSM-UHFFFAOYSA-M
MW225.63 g/mol
LogP-3.09
Rot. Bonds2

About 2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+)

2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+) (PubChem CID 59279704) has the molecular formula C6H10N3ORb and a molecular weight of 225.63 g/mol. Its IUPAC name is 2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+).

Molecular Properties

Compound Name2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+)
PubChem CID59279704
Molecular FormulaC6H10N3ORb
Molecular Weight225.63 g/mol
Exact Mass224.99
IUPAC Name2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+)
SMILESCNCC1N=C(C)[N-]C1=O.[Rb+]
InChIInChI=1S/C6H11N3O.Rb/c1-4-8-5(3-7-2)6(10)9-4;/h5,7H,3H2,1-2H3,(H,8,9,10);/q;+1/p-1
InChIKeyGBROHEZLTLVVSM-UHFFFAOYSA-M
XLogP-3.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 5-3.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+)?
The IUPAC name of 2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+) (CID 59279704) is 2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+).
What is the SMILES notation for 2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+)?
The canonical SMILES for 2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+) is CNCC1N=C(C)[N-]C1=O.[Rb+].
What is the InChIKey of 2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+)?
The InChIKey is GBROHEZLTLVVSM-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11N3O.Rb/c1-4-8-5(3-7-2)6(10)9-4;/h5,7H,3H2,1-2H3,(H,8,9,10);/q;+1/p-1.
What are the key properties of 2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+)?
2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+) has a molecular weight of 225.63 g/mol, XLogP of -3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+) is sourced from PubChem (CID 59279704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).