bis(1H-benzimidazole);cadmium(2+);bis(2-hydroxybenzoate);hydrate

C28H24CdN4O7 — CID 139068278

IUPACbis(1H-benzimidazole);cadmium(2+);bis(2-hydroxybenzoate);hydrate
SMILESO.O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.[Cd+2].c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/2C7H6N2.2C7H6O3.Cd.H2O/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);;1H2/q;;;;+2;/p-2
InChIKeyCXLLHYCBPCKDSN-UHFFFAOYSA-L
MW640.93 g/mol
LogP1.81
Rot. Bonds2

About bis(1H-benzimidazole);cadmium(2+);bis(2-hydroxybenzoate);hydrate

bis(1H-benzimidazole);cadmium(2+);bis(2-hydroxybenzoate);hydrate (PubChem CID 139068278) has the molecular formula C28H24CdN4O7 and a molecular weight of 640.93 g/mol. Its IUPAC name is bis(1H-benzimidazole);cadmium(2+);bis(2-hydroxybenzoate);hydrate.

Molecular Properties

Compound Namebis(1H-benzimidazole);cadmium(2+);bis(2-hydroxybenzoate);hydrate
PubChem CID139068278
Molecular FormulaC28H24CdN4O7
Molecular Weight640.93 g/mol
Exact Mass642.07
IUPAC Namebis(1H-benzimidazole);cadmium(2+);bis(2-hydroxybenzoate);hydrate
SMILESO.O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.[Cd+2].c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/2C7H6N2.2C7H6O3.Cd.H2O/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);;1H2/q;;;;+2;/p-2
InChIKeyCXLLHYCBPCKDSN-UHFFFAOYSA-L
XLogP1.81
TPSA209.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.93
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

Benzamide, N-1H-benzimidazol-2-yl-2-hydroxy-
CID 583995
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
2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137091045
[5-(1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]-(2-hydroxyphenyl)methanone
CID 8834720
Benzimidazolium salicylate
CID 68149893
copper;bis(1H-benzimidazole);bis(2-hydroxybenzoate)
CID 139059504
2,2'-Bisbenzimidazolium bis(3-carboxy-4-hydroxybenzenesulfonate) trihydrate
CID 139060605
bis(2-carboxyphenolate);bis(7H-purin-3-ium-6-amine);dihydrate
CID 139062912
Benzimidazolium 3,5-dihydroxybenzoate
CID 139068864
Bis(benzimidazole-kappaN)bis(3,5-dihydroxybenzoato-kappaO)copper(II) trihydrate
CID 139070214
Benzimidazolium 2-carboxy-4-hydroxybenzenesulfonate trihydrate
CID 139071539

Frequently Asked Questions

What is the IUPAC name of bis(1H-benzimidazole);cadmium(2+);bis(2-hydroxybenzoate);hydrate?
The IUPAC name of bis(1H-benzimidazole);cadmium(2+);bis(2-hydroxybenzoate);hydrate (CID 139068278) is bis(1H-benzimidazole);cadmium(2+);bis(2-hydroxybenzoate);hydrate.
What is the SMILES notation for bis(1H-benzimidazole);cadmium(2+);bis(2-hydroxybenzoate);hydrate?
The canonical SMILES for bis(1H-benzimidazole);cadmium(2+);bis(2-hydroxybenzoate);hydrate is O.O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.[Cd+2].c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.
What is the InChIKey of bis(1H-benzimidazole);cadmium(2+);bis(2-hydroxybenzoate);hydrate?
The InChIKey is CXLLHYCBPCKDSN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6N2.2C7H6O3.Cd.H2O/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);;1H2/q;;;;+2;/p-2.
What are the key properties of bis(1H-benzimidazole);cadmium(2+);bis(2-hydroxybenzoate);hydrate?
bis(1H-benzimidazole);cadmium(2+);bis(2-hydroxybenzoate);hydrate has a molecular weight of 640.93 g/mol, XLogP of 1.81, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-benzimidazole);cadmium(2+);bis(2-hydroxybenzoate);hydrate is sourced from PubChem (CID 139068278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).