copper;bis(1H-benzimidazole);bis(2-hydroxybenzoate)

C28H22CuN4O6 — CID 139059504

IUPACcopper;bis(1H-benzimidazole);bis(2-hydroxybenzoate)
SMILESO=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.[Cu+2].c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/2C7H6N2.2C7H6O3.Cu/c2*1-2-4-7-6(3-1)8-5-9-7;2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-5H,(H,8,9);2*1-4,8H,(H,9,10);/q;;;;+2/p-2
InChIKeyZWKFBXNGBYHORO-UHFFFAOYSA-L
MW574.05 g/mol
LogP2.63
Rot. Bonds2

About copper;bis(1H-benzimidazole);bis(2-hydroxybenzoate)

copper;bis(1H-benzimidazole);bis(2-hydroxybenzoate) (PubChem CID 139059504) has the molecular formula C28H22CuN4O6 and a molecular weight of 574.05 g/mol. Its IUPAC name is copper;bis(1H-benzimidazole);bis(2-hydroxybenzoate).

Molecular Properties

Compound Namecopper;bis(1H-benzimidazole);bis(2-hydroxybenzoate)
PubChem CID139059504
Molecular FormulaC28H22CuN4O6
Molecular Weight574.05 g/mol
Exact Mass573.08
IUPAC Namecopper;bis(1H-benzimidazole);bis(2-hydroxybenzoate)
SMILESO=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.[Cu+2].c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/2C7H6N2.2C7H6O3.Cu/c2*1-2-4-7-6(3-1)8-5-9-7;2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-5H,(H,8,9);2*1-4,8H,(H,9,10);/q;;;;+2/p-2
InChIKeyZWKFBXNGBYHORO-UHFFFAOYSA-L
XLogP2.63
TPSA178.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.05
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

Benzamide, N-1H-benzimidazol-2-yl-2-hydroxy-
CID 583995
4-(6-(4-butylphenyl)-1H-benzo[d]imidazol-2-yl)-2-hydroxybenzoic acid
CID 16062172
6-[4-(1H-Benzoimidazol-2-yl)-piperazin-1-yl]-1-(2-hydroxy-phenyl)-hexan-1-one
CID 11101259
5-(1H-benzimidazol-2-ylamino)-2-hydroxybenzoic acid
CID 33743855
4-fluoro-2-hydroxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 118725754
Tyrosine, N-[[2-[[5-(aminocarbonyl)-1H-benzimidazol-2-yl]methyl]-1-methyl-1H-benzimidazol-6-yl]carbonyl]-3-carboxy-
CID 489248
2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137091045
N-(1-(1H-Benzimidazol-2-yl)-2-(2-hydroxyphenyl)vinyl)benzamide
CID 135429952
5-(Benzimidazolium-2-yl)salicylate
CID 136510486
[5-(1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]-(2-hydroxyphenyl)methanone
CID 8834720
Benzimidazolium salicylate
CID 68149893
2,2'-Bisbenzimidazolium bis(3-carboxy-4-hydroxybenzenesulfonate) trihydrate
CID 139060605

Frequently Asked Questions

What is the IUPAC name of copper;bis(1H-benzimidazole);bis(2-hydroxybenzoate)?
The IUPAC name of copper;bis(1H-benzimidazole);bis(2-hydroxybenzoate) (CID 139059504) is copper;bis(1H-benzimidazole);bis(2-hydroxybenzoate).
What is the SMILES notation for copper;bis(1H-benzimidazole);bis(2-hydroxybenzoate)?
The canonical SMILES for copper;bis(1H-benzimidazole);bis(2-hydroxybenzoate) is O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.[Cu+2].c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.
What is the InChIKey of copper;bis(1H-benzimidazole);bis(2-hydroxybenzoate)?
The InChIKey is ZWKFBXNGBYHORO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6N2.2C7H6O3.Cu/c2*1-2-4-7-6(3-1)8-5-9-7;2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-5H,(H,8,9);2*1-4,8H,(H,9,10);/q;;;;+2/p-2.
What are the key properties of copper;bis(1H-benzimidazole);bis(2-hydroxybenzoate)?
copper;bis(1H-benzimidazole);bis(2-hydroxybenzoate) has a molecular weight of 574.05 g/mol, XLogP of 2.63, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(1H-benzimidazole);bis(2-hydroxybenzoate) is sourced from PubChem (CID 139059504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).