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

C38H28MgN4O2+2 — CID 140661109

IUPACmagnesium bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate)
SMILES[Mg+2].[O-]c1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1.[O-]c1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1
InChIInChI=1S/2C19H14N2O.Mg/c2*22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;/h2*1-13,22H;/q;;+2
InChIKeyCERTXGRJVFMOGO-UHFFFAOYSA-N
MW596.97 g/mol
LogP5.99
Rot. Bonds4

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

magnesium bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate) (PubChem CID 140661109) has the molecular formula C38H28MgN4O2+2 and a molecular weight of 596.97 g/mol. Its IUPAC name is magnesium bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate).

Molecular Properties

Compound Namemagnesium bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate)
PubChem CID140661109
Molecular FormulaC38H28MgN4O2+2
Molecular Weight596.97 g/mol
Exact Mass596.21
IUPAC Namemagnesium bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate)
SMILES[Mg+2].[O-]c1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1.[O-]c1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1
InChIInChI=1S/2C19H14N2O.Mg/c2*22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;/h2*1-13,22H;/q;;+2
InChIKeyCERTXGRJVFMOGO-UHFFFAOYSA-N
XLogP5.99
TPSA84.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.97
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[5-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]iminomethyl]phenol
CID 135971383
2-(((1H-Benzimidazol-2-ylmethyl)(benzyl)amino)methyl)-6-((bis(1H-benzimidazol-2-ylmethyl)amino)methyl)-4-methylphenol hydrochloride
CID 386990
2,5-pentanediylbis(oxy-1,2-phenylene)]bis-1H-benzimidazole
CID 25255578
CID 139166817
CID 139166817
2,6-Bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol
CID 136742168
2-[3,7-Bis(4-aminophenyl)-2-(2-hydroxy-3-prop-2-enylphenyl)imidazo[4,5-f]benzimidazol-6-yl]-6-prop-2-enylphenol
CID 136754238
dizinc;tetrakis(2-benzhydryl-6-(1H-benzimidazol-2-yl)-4-methylphenolate)
CID 139041399
ZINC bis(2-benzhydryl-4-methyl-6-(1-propan-2-ylbenzimidazol-2-yl)phenolate)
CID 139041400
Bis[2-(1H-benzimidazol-2-yl)phenolato]copper(II) dimethylformamide disolvate
CID 139068438
Bis[2-(benzimidazol-2-yl)phenolato-kappa^2^N,O] cobalt(II)
CID 139068471
Bis[2-(2-oxidophenyl)-1H-benzimidazole-kappa^2^N^3^,O]zinc(II) dimethylformamide disolvate
CID 139070314
CID 139070642
CID 139070642

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate)?
The IUPAC name of magnesium bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate) (CID 140661109) is magnesium bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate).
What is the SMILES notation for magnesium bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate)?
The canonical SMILES for magnesium bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate) is [Mg+2].[O-]c1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1.[O-]c1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1.
What is the InChIKey of magnesium bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate)?
The InChIKey is CERTXGRJVFMOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H14N2O.Mg/c2*22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;/h2*1-13,22H;/q;;+2.
What are the key properties of magnesium bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate)?
magnesium bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate) has a molecular weight of 596.97 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate) is sourced from PubChem (CID 140661109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).