copper;1-methyl-2-(methylsulfinylmethyl)benzimidazole;diacetate

C14H18CuN2O5S — CID 134105261

IUPACcopper;1-methyl-2-(methylsulfinylmethyl)benzimidazole;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Cn1c(CS(C)=O)nc2ccccc21.[Cu+2]
InChIInChI=1S/C10H12N2OS.2C2H4O2.Cu/c1-12-9-6-4-3-5-8(9)11-10(12)7-14(2)13;2*1-2(3)4;/h3-6H,7H2,1-2H3;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyAPCKCTHYBZJQIE-UHFFFAOYSA-L
MW389.92 g/mol
LogP-1.04
Rot. Bonds2

About copper;1-methyl-2-(methylsulfinylmethyl)benzimidazole;diacetate

copper;1-methyl-2-(methylsulfinylmethyl)benzimidazole;diacetate (PubChem CID 134105261) has the molecular formula C14H18CuN2O5S and a molecular weight of 389.92 g/mol. Its IUPAC name is copper;1-methyl-2-(methylsulfinylmethyl)benzimidazole;diacetate.

Molecular Properties

Compound Namecopper;1-methyl-2-(methylsulfinylmethyl)benzimidazole;diacetate
PubChem CID134105261
Molecular FormulaC14H18CuN2O5S
Molecular Weight389.92 g/mol
Exact Mass389.02
IUPAC Namecopper;1-methyl-2-(methylsulfinylmethyl)benzimidazole;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Cn1c(CS(C)=O)nc2ccccc21.[Cu+2]
InChIInChI=1S/C10H12N2OS.2C2H4O2.Cu/c1-12-9-6-4-3-5-8(9)11-10(12)7-14(2)13;2*1-2(3)4;/h3-6H,7H2,1-2H3;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyAPCKCTHYBZJQIE-UHFFFAOYSA-L
XLogP-1.04
TPSA115.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.92
LogP ≤ 5-1.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-methylbenzimidazol-2-yl)propanoate
CID 7036074
bis(1-(1-methylbenzimidazol-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine);bis(nickel(2+));triacetate;perchlorate;pentahydrate
CID 139151681
N-[(1-methylbenzimidazol-2-yl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632872
potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate
CID 58580442
sodium 1-methylbenzimidazole-2-carboxylate
CID 131637939
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 101152444
1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one
CID 79753774
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296

Frequently Asked Questions

What is the IUPAC name of copper;1-methyl-2-(methylsulfinylmethyl)benzimidazole;diacetate?
The IUPAC name of copper;1-methyl-2-(methylsulfinylmethyl)benzimidazole;diacetate (CID 134105261) is copper;1-methyl-2-(methylsulfinylmethyl)benzimidazole;diacetate.
What is the SMILES notation for copper;1-methyl-2-(methylsulfinylmethyl)benzimidazole;diacetate?
The canonical SMILES for copper;1-methyl-2-(methylsulfinylmethyl)benzimidazole;diacetate is CC(=O)[O-].CC(=O)[O-].Cn1c(CS(C)=O)nc2ccccc21.[Cu+2].
What is the InChIKey of copper;1-methyl-2-(methylsulfinylmethyl)benzimidazole;diacetate?
The InChIKey is APCKCTHYBZJQIE-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H12N2OS.2C2H4O2.Cu/c1-12-9-6-4-3-5-8(9)11-10(12)7-14(2)13;2*1-2(3)4;/h3-6H,7H2,1-2H3;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of copper;1-methyl-2-(methylsulfinylmethyl)benzimidazole;diacetate?
copper;1-methyl-2-(methylsulfinylmethyl)benzimidazole;diacetate has a molecular weight of 389.92 g/mol, XLogP of -1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1-methyl-2-(methylsulfinylmethyl)benzimidazole;diacetate is sourced from PubChem (CID 134105261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).