magnesium bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate)

C28H24MgN4O2+2 — CID 59116192

IUPACmagnesium bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate)
SMILESCn1c(-c2ccccc2[O-])[nH+]c2ccccc21.Cn1c(-c2ccccc2[O-])[nH+]c2ccccc21.[Mg+2]
InChIInChI=1S/2C14H12N2O.Mg/c2*1-16-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)17;/h2*2-9,17H,1H3;/q;;+2
InChIKeyOTYXSEBGQHGEFI-UHFFFAOYSA-N
MW472.83 g/mol
LogP3.09
Rot. Bonds2

About magnesium bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate)

magnesium bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate) (PubChem CID 59116192) has the molecular formula C28H24MgN4O2+2 and a molecular weight of 472.83 g/mol. Its IUPAC name is magnesium bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate).

Molecular Properties

Compound Namemagnesium bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate)
PubChem CID59116192
Molecular FormulaC28H24MgN4O2+2
Molecular Weight472.83 g/mol
Exact Mass472.17
IUPAC Namemagnesium bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate)
SMILESCn1c(-c2ccccc2[O-])[nH+]c2ccccc21.Cn1c(-c2ccccc2[O-])[nH+]c2ccccc21.[Mg+2]
InChIInChI=1S/2C14H12N2O.Mg/c2*1-16-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)17;/h2*2-9,17H,1H3;/q;;+2
InChIKeyOTYXSEBGQHGEFI-UHFFFAOYSA-N
XLogP3.09
TPSA84.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.83
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate)?
The IUPAC name of magnesium bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate) (CID 59116192) is magnesium bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate).
What is the SMILES notation for magnesium bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate)?
The canonical SMILES for magnesium bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate) is Cn1c(-c2ccccc2[O-])[nH+]c2ccccc21.Cn1c(-c2ccccc2[O-])[nH+]c2ccccc21.[Mg+2].
What is the InChIKey of magnesium bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate)?
The InChIKey is OTYXSEBGQHGEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12N2O.Mg/c2*1-16-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)17;/h2*2-9,17H,1H3;/q;;+2.
What are the key properties of magnesium bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate)?
magnesium bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate) has a molecular weight of 472.83 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-(1-methylbenzimidazol-3-ium-2-yl)phenolate) is sourced from PubChem (CID 59116192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).