4,5-di(propan-2-yl)imidazole-1,3-diid-2-one;vanadium;yttrium

C9H14N2OVY-2 — CID 59517528

IUPAC4,5-di(propan-2-yl)imidazole-1,3-diid-2-one;vanadium;yttrium
SMILESCC(C)c1[n-]c(=O)[n-]c1C(C)C.[V].[Y]
InChIInChI=1S/C9H15N2O.V.Y/c1-5(2)7-8(6(3)4)11-9(12)10-7;;/h5-6H,1-4H3,(H-,10,11,12);;/q-1;;/p-1
InChIKeyCWHVGYPJTUNLFG-UHFFFAOYSA-M
MW306.07 g/mol
LogP1.20
Rot. Bonds2

About 4,5-di(propan-2-yl)imidazole-1,3-diid-2-one;vanadium;yttrium

4,5-di(propan-2-yl)imidazole-1,3-diid-2-one;vanadium;yttrium (PubChem CID 59517528) has the molecular formula C9H14N2OVY-2 and a molecular weight of 306.07 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)imidazole-1,3-diid-2-one;vanadium;yttrium.

Molecular Properties

Compound Name4,5-di(propan-2-yl)imidazole-1,3-diid-2-one;vanadium;yttrium
PubChem CID59517528
Molecular FormulaC9H14N2OVY-2
Molecular Weight306.07 g/mol
Exact Mass305.96
IUPAC Name4,5-di(propan-2-yl)imidazole-1,3-diid-2-one;vanadium;yttrium
SMILESCC(C)c1[n-]c(=O)[n-]c1C(C)C.[V].[Y]
InChIInChI=1S/C9H15N2O.V.Y/c1-5(2)7-8(6(3)4)11-9(12)10-7;;/h5-6H,1-4H3,(H-,10,11,12);;/q-1;;/p-1
InChIKeyCWHVGYPJTUNLFG-UHFFFAOYSA-M
XLogP1.20
TPSA45.27 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.07
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Ethyl-5-propan-2-yl-1,3-dihydroimidazol-2-one
CID 105430144

Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)imidazole-1,3-diid-2-one;vanadium;yttrium?
The IUPAC name of 4,5-di(propan-2-yl)imidazole-1,3-diid-2-one;vanadium;yttrium (CID 59517528) is 4,5-di(propan-2-yl)imidazole-1,3-diid-2-one;vanadium;yttrium.
What is the SMILES notation for 4,5-di(propan-2-yl)imidazole-1,3-diid-2-one;vanadium;yttrium?
The canonical SMILES for 4,5-di(propan-2-yl)imidazole-1,3-diid-2-one;vanadium;yttrium is CC(C)c1[n-]c(=O)[n-]c1C(C)C.[V].[Y].
What is the InChIKey of 4,5-di(propan-2-yl)imidazole-1,3-diid-2-one;vanadium;yttrium?
The InChIKey is CWHVGYPJTUNLFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H15N2O.V.Y/c1-5(2)7-8(6(3)4)11-9(12)10-7;;/h5-6H,1-4H3,(H-,10,11,12);;/q-1;;/p-1.
What are the key properties of 4,5-di(propan-2-yl)imidazole-1,3-diid-2-one;vanadium;yttrium?
4,5-di(propan-2-yl)imidazole-1,3-diid-2-one;vanadium;yttrium has a molecular weight of 306.07 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)imidazole-1,3-diid-2-one;vanadium;yttrium is sourced from PubChem (CID 59517528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).