5-(3-methylbutan-2-yl)-2H-benzimidazole;yttrium

C12H15N2Y- — CID 59568667

IUPAC5-(3-methylbutan-2-yl)-2H-benzimidazole;yttrium
SMILESC[C-](c1ccc2c(c1)=NCN=2)C(C)C.[Y]
InChIInChI=1S/C12H15N2.Y/c1-8(2)9(3)10-4-5-11-12(6-10)14-7-13-11;/h4-6,8H,7H2,1-3H3;/q-1;
InChIKeyOIWZVMZRLWZIAL-UHFFFAOYSA-N
MW276.17 g/mol
LogP1.49
Rot. Bonds2

About 5-(3-methylbutan-2-yl)-2H-benzimidazole;yttrium

5-(3-methylbutan-2-yl)-2H-benzimidazole;yttrium (PubChem CID 59568667) has the molecular formula C12H15N2Y- and a molecular weight of 276.17 g/mol. Its IUPAC name is 5-(3-methylbutan-2-yl)-2H-benzimidazole;yttrium.

Molecular Properties

Compound Name5-(3-methylbutan-2-yl)-2H-benzimidazole;yttrium
PubChem CID59568667
Molecular FormulaC12H15N2Y-
Molecular Weight276.17 g/mol
Exact Mass276.03
IUPAC Name5-(3-methylbutan-2-yl)-2H-benzimidazole;yttrium
SMILESC[C-](c1ccc2c(c1)=NCN=2)C(C)C.[Y]
InChIInChI=1S/C12H15N2.Y/c1-8(2)9(3)10-4-5-11-12(6-10)14-7-13-11;/h4-6,8H,7H2,1-3H3;/q-1;
InChIKeyOIWZVMZRLWZIAL-UHFFFAOYSA-N
XLogP1.49
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 51.49
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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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutan-2-yl)-2H-benzimidazole;yttrium?
The IUPAC name of 5-(3-methylbutan-2-yl)-2H-benzimidazole;yttrium (CID 59568667) is 5-(3-methylbutan-2-yl)-2H-benzimidazole;yttrium.
What is the SMILES notation for 5-(3-methylbutan-2-yl)-2H-benzimidazole;yttrium?
The canonical SMILES for 5-(3-methylbutan-2-yl)-2H-benzimidazole;yttrium is C[C-](c1ccc2c(c1)=NCN=2)C(C)C.[Y].
What is the InChIKey of 5-(3-methylbutan-2-yl)-2H-benzimidazole;yttrium?
The InChIKey is OIWZVMZRLWZIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N2.Y/c1-8(2)9(3)10-4-5-11-12(6-10)14-7-13-11;/h4-6,8H,7H2,1-3H3;/q-1;.
What are the key properties of 5-(3-methylbutan-2-yl)-2H-benzimidazole;yttrium?
5-(3-methylbutan-2-yl)-2H-benzimidazole;yttrium has a molecular weight of 276.17 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutan-2-yl)-2H-benzimidazole;yttrium is sourced from PubChem (CID 59568667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).