1,5-dimethyl-4H-imidazol-4-ide;yttrium(3+)

C5H7N2Y+2 — CID 23392037

IUPAC1,5-dimethyl-4H-imidazol-4-ide;yttrium(3+)
SMILESCc1[c-]ncn1C.[Y+3]
InChIInChI=1S/C5H7N2.Y/c1-5-3-6-4-7(5)2;/h4H,1-2H3;/q-1;+3
InChIKeyKPPJJIODRJLFMR-UHFFFAOYSA-N
MW184.03 g/mol
LogP0.53
Rot. Bonds

About 1,5-dimethyl-4H-imidazol-4-ide;yttrium(3+)

1,5-dimethyl-4H-imidazol-4-ide;yttrium(3+) (PubChem CID 23392037) has the molecular formula C5H7N2Y+2 and a molecular weight of 184.03 g/mol. Its IUPAC name is 1,5-dimethyl-4H-imidazol-4-ide;yttrium(3+).

Molecular Properties

Compound Name1,5-dimethyl-4H-imidazol-4-ide;yttrium(3+)
PubChem CID23392037
Molecular FormulaC5H7N2Y+2
Molecular Weight184.03 g/mol
Exact Mass183.97
IUPAC Name1,5-dimethyl-4H-imidazol-4-ide;yttrium(3+)
SMILESCc1[c-]ncn1C.[Y+3]
InChIInChI=1S/C5H7N2.Y/c1-5-3-6-4-7(5)2;/h4H,1-2H3;/q-1;+3
InChIKeyKPPJJIODRJLFMR-UHFFFAOYSA-N
XLogP0.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.03
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,5-Dimethyl-2,4-dihydroimidazole-2,4-diide;tungsten
CID 20700577
CID 58875914
CID 58875914
3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium
CID 58883704
1,5-dimethyl-4H-imidazol-4-ide;yttrium
CID 59915028
5-ethyl-1-methyl-4H-imidazol-4-ide;yttrium
CID 60087260
3-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium
CID 140756234
3,5-dimethyl-4H-imidazol-4-ide;yttrium
CID 144800684
2-(5-methyl-4H-imidazol-4-id-3-yl)ethylidenevanadium;tungsten;vanadium
CID 145561638
1,1,4,5-Tetramethylimidazol-1-ium
CID 147295703
potassium 1,5-dimethyl-4H-imidazol-4-ide
CID 164910364
1-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium
CID 169155843
3,5-Dimethyl-2,4-dihydroimidazole-2,4-diide;rhenium;rutherfordium
CID 176676527

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4H-imidazol-4-ide;yttrium(3+)?
The IUPAC name of 1,5-dimethyl-4H-imidazol-4-ide;yttrium(3+) (CID 23392037) is 1,5-dimethyl-4H-imidazol-4-ide;yttrium(3+).
What is the SMILES notation for 1,5-dimethyl-4H-imidazol-4-ide;yttrium(3+)?
The canonical SMILES for 1,5-dimethyl-4H-imidazol-4-ide;yttrium(3+) is Cc1[c-]ncn1C.[Y+3].
What is the InChIKey of 1,5-dimethyl-4H-imidazol-4-ide;yttrium(3+)?
The InChIKey is KPPJJIODRJLFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2.Y/c1-5-3-6-4-7(5)2;/h4H,1-2H3;/q-1;+3.
What are the key properties of 1,5-dimethyl-4H-imidazol-4-ide;yttrium(3+)?
1,5-dimethyl-4H-imidazol-4-ide;yttrium(3+) has a molecular weight of 184.03 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4H-imidazol-4-ide;yttrium(3+) is sourced from PubChem (CID 23392037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).