zinc;bis(2-(1H-imidazol-2-yl)phenolate);methanol

C19H18N4O3Zn — CID 139070671

IUPACzinc;bis(2-(1H-imidazol-2-yl)phenolate);methanol
SMILESCO.[O-]c1ccccc1-c1ncc[nH]1.[O-]c1ccccc1-c1ncc[nH]1.[Zn+2]
InChIInChI=1S/2C9H8N2O.CH4O.Zn/c2*12-8-4-2-1-3-7(8)9-10-5-6-11-9;1-2;/h2*1-6,12H,(H,10,11);2H,1H3;/q;;;+2/p-2
InChIKeyHRYZKSLCLXSQPC-UHFFFAOYSA-L
MW415.77 g/mol
LogP1.91
Rot. Bonds2

About zinc;bis(2-(1H-imidazol-2-yl)phenolate);methanol

zinc;bis(2-(1H-imidazol-2-yl)phenolate);methanol (PubChem CID 139070671) has the molecular formula C19H18N4O3Zn and a molecular weight of 415.77 g/mol. Its IUPAC name is zinc;bis(2-(1H-imidazol-2-yl)phenolate);methanol.

Molecular Properties

Compound Namezinc;bis(2-(1H-imidazol-2-yl)phenolate);methanol
PubChem CID139070671
Molecular FormulaC19H18N4O3Zn
Molecular Weight415.77 g/mol
Exact Mass414.07
IUPAC Namezinc;bis(2-(1H-imidazol-2-yl)phenolate);methanol
SMILESCO.[O-]c1ccccc1-c1ncc[nH]1.[O-]c1ccccc1-c1ncc[nH]1.[Zn+2]
InChIInChI=1S/2C9H8N2O.CH4O.Zn/c2*12-8-4-2-1-3-7(8)9-10-5-6-11-9;1-2;/h2*1-6,12H,(H,10,11);2H,1H3;/q;;;+2/p-2
InChIKeyHRYZKSLCLXSQPC-UHFFFAOYSA-L
XLogP1.91
TPSA123.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.77
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Tris[2-(1H-imidazol-2-yl)phenolato-kappa^2^N,O]chromium(II) methanol trisolvate
CID 139070718
zinc bis(2-(4,5-diethyl-1H-imidazol-2-yl)phenolate)
CID 139127102
cobalt(2+);bis(2-(1H-imidazol-2-yl)phenolate);methanol
CID 139173835
[2-(3-methyl-1H-imidazol-3-ium-2-yl)phenyl] [2-(1-methylimidazol-2-yl)phenyl] phosphate
CID 139244412
bis(2-(1H-imidazol-2-yl)phenolate);methylsulfinylmethane;oxygen(2-);vanadium(4+)
CID 168342595
2-(1H-imidazol-3-ium-2-yl)phenolate;2-(1H-imidazol-2-yl)phenolate;bis(oxygen(2-));vanadium
CID 168342596
2-[(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenol
CID 9842816
2-[8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenol
CID 23543242
Beryllium bis(2-(1-methylimidazol-3-ium-2-yl)phenolate)
CID 57763929
2-(1H-imidazo[4,5-b]pyrazin-2-yl)phenol
CID 136053490
Bis(2-(1-methylimidazol-2-yl)phenol);ZINC
CID 136161247
CID 157325573
CID 157325573

Frequently Asked Questions

What is the IUPAC name of zinc;bis(2-(1H-imidazol-2-yl)phenolate);methanol?
The IUPAC name of zinc;bis(2-(1H-imidazol-2-yl)phenolate);methanol (CID 139070671) is zinc;bis(2-(1H-imidazol-2-yl)phenolate);methanol.
What is the SMILES notation for zinc;bis(2-(1H-imidazol-2-yl)phenolate);methanol?
The canonical SMILES for zinc;bis(2-(1H-imidazol-2-yl)phenolate);methanol is CO.[O-]c1ccccc1-c1ncc[nH]1.[O-]c1ccccc1-c1ncc[nH]1.[Zn+2].
What is the InChIKey of zinc;bis(2-(1H-imidazol-2-yl)phenolate);methanol?
The InChIKey is HRYZKSLCLXSQPC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H8N2O.CH4O.Zn/c2*12-8-4-2-1-3-7(8)9-10-5-6-11-9;1-2;/h2*1-6,12H,(H,10,11);2H,1H3;/q;;;+2/p-2.
What are the key properties of zinc;bis(2-(1H-imidazol-2-yl)phenolate);methanol?
zinc;bis(2-(1H-imidazol-2-yl)phenolate);methanol has a molecular weight of 415.77 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(2-(1H-imidazol-2-yl)phenolate);methanol is sourced from PubChem (CID 139070671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).