copper(1+);2,2-dimethylbenzimidazole;perchlorate

C9H10ClCuN2O4 — CID 11472353

IUPACcopper(1+);2,2-dimethylbenzimidazole;perchlorate
SMILESCC1(C)N=c2ccccc2=N1.[Cu+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C9H10N2.ClHO4.Cu/c1-9(2)10-7-5-3-4-6-8(7)11-9;2-1(3,4)5;/h3-6H,1-2H3;(H,2,3,4,5);/q;;+1/p-1
InChIKeyDQDOUDDDIGBBJM-UHFFFAOYSA-M
MW309.19 g/mol
LogP-4.08
Rot. Bonds

About copper(1+);2,2-dimethylbenzimidazole;perchlorate

copper(1+);2,2-dimethylbenzimidazole;perchlorate (PubChem CID 11472353) has the molecular formula C9H10ClCuN2O4 and a molecular weight of 309.19 g/mol. Its IUPAC name is copper(1+);2,2-dimethylbenzimidazole;perchlorate.

Molecular Properties

Compound Namecopper(1+);2,2-dimethylbenzimidazole;perchlorate
PubChem CID11472353
Molecular FormulaC9H10ClCuN2O4
Molecular Weight309.19 g/mol
Exact Mass307.96
IUPAC Namecopper(1+);2,2-dimethylbenzimidazole;perchlorate
SMILESCC1(C)N=c2ccccc2=N1.[Cu+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C9H10N2.ClHO4.Cu/c1-9(2)10-7-5-3-4-6-8(7)11-9;2-1(3,4)5;/h3-6H,1-2H3;(H,2,3,4,5);/q;;+1/p-1
InChIKeyDQDOUDDDIGBBJM-UHFFFAOYSA-M
XLogP-4.08
TPSA116.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 5-4.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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(2-sulfanylbenzimidazol-2-yl)methanol
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silver;1,2-xylene;perchlorate
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CID 19688759
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9-phenylthioxanthen-10-ium perchlorate
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2-[3,5-bis(2-phenylbenzimidazol-2-yl)phenyl]-2-phenylbenzimidazole
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Frequently Asked Questions

What is the IUPAC name of copper(1+);2,2-dimethylbenzimidazole;perchlorate?
The IUPAC name of copper(1+);2,2-dimethylbenzimidazole;perchlorate (CID 11472353) is copper(1+);2,2-dimethylbenzimidazole;perchlorate.
What is the SMILES notation for copper(1+);2,2-dimethylbenzimidazole;perchlorate?
The canonical SMILES for copper(1+);2,2-dimethylbenzimidazole;perchlorate is CC1(C)N=c2ccccc2=N1.[Cu+].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of copper(1+);2,2-dimethylbenzimidazole;perchlorate?
The InChIKey is DQDOUDDDIGBBJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10N2.ClHO4.Cu/c1-9(2)10-7-5-3-4-6-8(7)11-9;2-1(3,4)5;/h3-6H,1-2H3;(H,2,3,4,5);/q;;+1/p-1.
What are the key properties of copper(1+);2,2-dimethylbenzimidazole;perchlorate?
copper(1+);2,2-dimethylbenzimidazole;perchlorate has a molecular weight of 309.19 g/mol, XLogP of -4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2,2-dimethylbenzimidazole;perchlorate is sourced from PubChem (CID 11472353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).