1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;bis(yttrium)

C16H20N4Y2-4 — CID 160644678

IUPAC1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;bis(yttrium)
SMILESC/[C-]=C(\C)n1[c-]nc(C)c1.C/[C-]=C/n1[c-]nc(C)c1C.[Y].[Y]
InChIInChI=1S/2C8H10N2.2Y/c1-4-8(3)10-5-7(2)9-6-10;1-4-5-10-6-9-7(2)8(10)3;;/h2*5H,1-3H3;;/q2*-2;;
InChIKeyCUYUVCWRQUYOAQ-UHFFFAOYSA-N
MW446.18 g/mol
LogP3.26
Rot. Bonds2

About 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;bis(yttrium)

1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;bis(yttrium) (PubChem CID 160644678) has the molecular formula C16H20N4Y2-4 and a molecular weight of 446.18 g/mol. Its IUPAC name is 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;bis(yttrium).

Molecular Properties

Compound Name1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;bis(yttrium)
PubChem CID160644678
Molecular FormulaC16H20N4Y2-4
Molecular Weight446.18 g/mol
Exact Mass445.98
IUPAC Name1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;bis(yttrium)
SMILESC/[C-]=C(\C)n1[c-]nc(C)c1.C/[C-]=C/n1[c-]nc(C)c1C.[Y].[Y]
InChIInChI=1S/2C8H10N2.2Y/c1-4-8(3)10-5-7(2)9-6-10;1-4-5-10-6-9-7(2)8(10)3;;/h2*5H,1-3H3;;/q2*-2;;
InChIKeyCUYUVCWRQUYOAQ-UHFFFAOYSA-N
XLogP3.26
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.18
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;bis(yttrium) with MolForge

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Launch Full Analysis

Related Compounds

1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;yttrium
CID 58883621
3-but-2-en-2-yl-5-methyl-2H-imidazol-2-id-4-amine;1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;1-(4,5-dimethyl-2H-imidazol-2-id-1-yl)prop-1-en-1-amine;4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;tetrakis(yttrium)
CID 159646891
3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;tris(yttrium)
CID 161423523

Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;bis(yttrium)?
The IUPAC name of 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;bis(yttrium) (CID 160644678) is 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;bis(yttrium).
What is the SMILES notation for 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;bis(yttrium)?
The canonical SMILES for 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;bis(yttrium) is C/[C-]=C(\C)n1[c-]nc(C)c1.C/[C-]=C/n1[c-]nc(C)c1C.[Y].[Y].
What is the InChIKey of 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;bis(yttrium)?
The InChIKey is CUYUVCWRQUYOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10N2.2Y/c1-4-8(3)10-5-7(2)9-6-10;1-4-5-10-6-9-7(2)8(10)3;;/h2*5H,1-3H3;;/q2*-2;;.
What are the key properties of 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;bis(yttrium)?
1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;bis(yttrium) has a molecular weight of 446.18 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-yl-4-methyl-2H-imidazol-2-ide;4,5-dimethyl-1-prop-1-enyl-2H-imidazol-2-ide;bis(yttrium) is sourced from PubChem (CID 160644678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).