bis(2-(1H-benzimidazol-2-yl)phenolate);manganese(3+);methanol;chloride

C28H26ClMnN4O4 — CID 139078789

IUPACbis(2-(1H-benzimidazol-2-yl)phenolate);manganese(3+);methanol;chloride
SMILESCO.CO.[Cl-].[Mn+3].[O-]c1ccccc1-c1nc2ccccc2[nH]1.[O-]c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/2C13H10N2O.2CH4O.ClH.Mn/c2*16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13;2*1-2;;/h2*1-8,16H,(H,14,15);2*2H,1H3;1H;/q;;;;;+3/p-3
InChIKeyNESCVRAUEFMAKS-UHFFFAOYSA-K
MW572.93 g/mol
LogP0.83
Rot. Bonds2

About bis(2-(1H-benzimidazol-2-yl)phenolate);manganese(3+);methanol;chloride

bis(2-(1H-benzimidazol-2-yl)phenolate);manganese(3+);methanol;chloride (PubChem CID 139078789) has the molecular formula C28H26ClMnN4O4 and a molecular weight of 572.93 g/mol. Its IUPAC name is bis(2-(1H-benzimidazol-2-yl)phenolate);manganese(3+);methanol;chloride.

Molecular Properties

Compound Namebis(2-(1H-benzimidazol-2-yl)phenolate);manganese(3+);methanol;chloride
PubChem CID139078789
Molecular FormulaC28H26ClMnN4O4
Molecular Weight572.93 g/mol
Exact Mass572.10
IUPAC Namebis(2-(1H-benzimidazol-2-yl)phenolate);manganese(3+);methanol;chloride
SMILESCO.CO.[Cl-].[Mn+3].[O-]c1ccccc1-c1nc2ccccc2[nH]1.[O-]c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/2C13H10N2O.2CH4O.ClH.Mn/c2*16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13;2*1-2;;/h2*1-8,16H,(H,14,15);2*2H,1H3;1H;/q;;;;;+3/p-3
InChIKeyNESCVRAUEFMAKS-UHFFFAOYSA-K
XLogP0.83
TPSA143.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.93
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-Dibenzimidazol-2-ylpropyl)-2-methoxybenzene
CID 2907920
2-[[4-[5-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]iminomethyl]phenol
CID 135971383
2-[(2S)-1-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)propan-2-yl]-1H-benzimidazole
CID 1099876
2-[2-(3-tert-butyl-2-hydroxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboximidamide
CID 135879384
2-[[1H-benzimidazol-2-ylmethyl(benzyl)amino]methyl]-6-[[bis(1H-benzimidazol-2-ylmethyl)amino]methyl]-4-methylphenol;hydrochloride
CID 386989
2,5-pentanediylbis(oxy-1,2-phenylene)]bis-1H-benzimidazole
CID 25255578
CID 139166817
CID 139166817
2,6-bis(1H-benzimidazol-2-yl)-4-tert-butylphenol
CID 2195919
2,6-Bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol
CID 136742168
dizinc;tetrakis(2-benzhydryl-6-(1H-benzimidazol-2-yl)-4-methylphenolate)
CID 139041399
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

Frequently Asked Questions

What is the IUPAC name of bis(2-(1H-benzimidazol-2-yl)phenolate);manganese(3+);methanol;chloride?
The IUPAC name of bis(2-(1H-benzimidazol-2-yl)phenolate);manganese(3+);methanol;chloride (CID 139078789) is bis(2-(1H-benzimidazol-2-yl)phenolate);manganese(3+);methanol;chloride.
What is the SMILES notation for bis(2-(1H-benzimidazol-2-yl)phenolate);manganese(3+);methanol;chloride?
The canonical SMILES for bis(2-(1H-benzimidazol-2-yl)phenolate);manganese(3+);methanol;chloride is CO.CO.[Cl-].[Mn+3].[O-]c1ccccc1-c1nc2ccccc2[nH]1.[O-]c1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of bis(2-(1H-benzimidazol-2-yl)phenolate);manganese(3+);methanol;chloride?
The InChIKey is NESCVRAUEFMAKS-UHFFFAOYSA-K. The full InChI is InChI=1S/2C13H10N2O.2CH4O.ClH.Mn/c2*16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13;2*1-2;;/h2*1-8,16H,(H,14,15);2*2H,1H3;1H;/q;;;;;+3/p-3.
What are the key properties of bis(2-(1H-benzimidazol-2-yl)phenolate);manganese(3+);methanol;chloride?
bis(2-(1H-benzimidazol-2-yl)phenolate);manganese(3+);methanol;chloride has a molecular weight of 572.93 g/mol, XLogP of 0.83, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(1H-benzimidazol-2-yl)phenolate);manganese(3+);methanol;chloride is sourced from PubChem (CID 139078789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).