4,5-dimethanidylidene-2-methyl-1H-imidazole;yttrium

C6H6N2Y-2 — CID 59908996

IUPAC4,5-dimethanidylidene-2-methyl-1H-imidazole;yttrium
SMILES[H]/[C-]=c1\nc(C)[nH]\c1=[C-]/[H].[Y]
InChIInChI=1S/C6H6N2.Y/c1-4-5(2)8-6(3)7-4;/h1-2H,3H3,(H,7,8);/q-2;
InChIKeyBTKWPCJCXDZGHH-UHFFFAOYSA-N
MW195.03 g/mol
LogP-0.71
Rot. Bonds

About 4,5-dimethanidylidene-2-methyl-1H-imidazole;yttrium

4,5-dimethanidylidene-2-methyl-1H-imidazole;yttrium (PubChem CID 59908996) has the molecular formula C6H6N2Y-2 and a molecular weight of 195.03 g/mol. Its IUPAC name is 4,5-dimethanidylidene-2-methyl-1H-imidazole;yttrium.

Molecular Properties

Compound Name4,5-dimethanidylidene-2-methyl-1H-imidazole;yttrium
PubChem CID59908996
Molecular FormulaC6H6N2Y-2
Molecular Weight195.03 g/mol
Exact Mass194.96
IUPAC Name4,5-dimethanidylidene-2-methyl-1H-imidazole;yttrium
SMILES[H]/[C-]=c1\nc(C)[nH]\c1=[C-]/[H].[Y]
InChIInChI=1S/C6H6N2.Y/c1-4-5(2)8-6(3)7-4;/h1-2H,3H3,(H,7,8);/q-2;
InChIKeyBTKWPCJCXDZGHH-UHFFFAOYSA-N
XLogP-0.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.03
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1,5-dihydropyrrolo[2,3-d]imidazole
CID 59701340
2-methyl-4,5-dimethylidene-1H-imidazole
CID 59908997
2-ethyl-4,5-dimethylidene-1H-imidazole
CID 91247008
(4E)-4-ethylidene-2-methyl-5-methylidene-1H-imidazole
CID 123822050
5-Ethenyl-2-methyl-1,4-dihydroimidazol-4-ide;yttrium
CID 145810782

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethanidylidene-2-methyl-1H-imidazole;yttrium?
The IUPAC name of 4,5-dimethanidylidene-2-methyl-1H-imidazole;yttrium (CID 59908996) is 4,5-dimethanidylidene-2-methyl-1H-imidazole;yttrium.
What is the SMILES notation for 4,5-dimethanidylidene-2-methyl-1H-imidazole;yttrium?
The canonical SMILES for 4,5-dimethanidylidene-2-methyl-1H-imidazole;yttrium is [H]/[C-]=c1\nc(C)[nH]\c1=[C-]/[H].[Y].
What is the InChIKey of 4,5-dimethanidylidene-2-methyl-1H-imidazole;yttrium?
The InChIKey is BTKWPCJCXDZGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2.Y/c1-4-5(2)8-6(3)7-4;/h1-2H,3H3,(H,7,8);/q-2;.
What are the key properties of 4,5-dimethanidylidene-2-methyl-1H-imidazole;yttrium?
4,5-dimethanidylidene-2-methyl-1H-imidazole;yttrium has a molecular weight of 195.03 g/mol, XLogP of -0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethanidylidene-2-methyl-1H-imidazole;yttrium is sourced from PubChem (CID 59908996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).