dipotassium;carbanide;dicyanoboranylformonitrile;bis(1-ethyl-3-methyl-2H-imidazole);methane;dichloride;hydrate

C19H41BCl2K2N7O- — CID 162269784

IUPACdipotassium;carbanide;dicyanoboranylformonitrile;bis(1-ethyl-3-methyl-2H-imidazole);methane;dichloride;hydrate
SMILESC.C.C.CCN1C=CN(C)C1.CCN1C=CN(C)C1.N#CB(C#N)C#N.O.[CH3-].[Cl-].[Cl-].[K+].[K+]
InChIInChI=1S/2C6H12N2.C3BN3.3CH4.CH3.2ClH.2K.H2O/c2*1-3-8-5-4-7(2)6-8;5-1-4(2-6)3-7;;;;;;;;;/h2*4-5H,3,6H2,1-2H3;;3*1H4;1H3;2*1H;;;1H2/q;;;;;;-1;;;2*+1;/p-2
InChIKeyPVHHBCYGTNASQS-UHFFFAOYSA-L
MW543.50 g/mol
LogP-9.42
Rot. Bonds2

About dipotassium;carbanide;dicyanoboranylformonitrile;bis(1-ethyl-3-methyl-2H-imidazole);methane;dichloride;hydrate

dipotassium;carbanide;dicyanoboranylformonitrile;bis(1-ethyl-3-methyl-2H-imidazole);methane;dichloride;hydrate (PubChem CID 162269784) has the molecular formula C19H41BCl2K2N7O- and a molecular weight of 543.50 g/mol. Its IUPAC name is dipotassium;carbanide;dicyanoboranylformonitrile;bis(1-ethyl-3-methyl-2H-imidazole);methane;dichloride;hydrate.

Molecular Properties

Compound Namedipotassium;carbanide;dicyanoboranylformonitrile;bis(1-ethyl-3-methyl-2H-imidazole);methane;dichloride;hydrate
PubChem CID162269784
Molecular FormulaC19H41BCl2K2N7O-
Molecular Weight543.50 g/mol
Exact Mass542.21
IUPAC Namedipotassium;carbanide;dicyanoboranylformonitrile;bis(1-ethyl-3-methyl-2H-imidazole);methane;dichloride;hydrate
SMILESC.C.C.CCN1C=CN(C)C1.CCN1C=CN(C)C1.N#CB(C#N)C#N.O.[CH3-].[Cl-].[Cl-].[K+].[K+]
InChIInChI=1S/2C6H12N2.C3BN3.3CH4.CH3.2ClH.2K.H2O/c2*1-3-8-5-4-7(2)6-8;5-1-4(2-6)3-7;;;;;;;;;/h2*4-5H,3,6H2,1-2H3;;3*1H4;1H3;2*1H;;;1H2/q;;;;;;-1;;;2*+1;/p-2
InChIKeyPVHHBCYGTNASQS-UHFFFAOYSA-L
XLogP-9.42
TPSA115.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.50
LogP ≤ 5-9.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze dipotassium;carbanide;dicyanoboranylformonitrile;bis(1-ethyl-3-methyl-2H-imidazole);methane;dichloride;hydrate with MolForge

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Related Compounds

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CID 118007414
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CID 175554894
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CID 174903378
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CID 162288775
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CID 174106655
1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane
CID 175320698
1-ethyl-3-methyl-2H-imidazole;phosphoric acid
CID 135221908
1-ethyl-3-methyl-2H-imidazole formate
CID 162292973
acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride
CID 172844057
difluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide)
CID 160727359

Frequently Asked Questions

What is the IUPAC name of dipotassium;carbanide;dicyanoboranylformonitrile;bis(1-ethyl-3-methyl-2H-imidazole);methane;dichloride;hydrate?
The IUPAC name of dipotassium;carbanide;dicyanoboranylformonitrile;bis(1-ethyl-3-methyl-2H-imidazole);methane;dichloride;hydrate (CID 162269784) is dipotassium;carbanide;dicyanoboranylformonitrile;bis(1-ethyl-3-methyl-2H-imidazole);methane;dichloride;hydrate.
What is the SMILES notation for dipotassium;carbanide;dicyanoboranylformonitrile;bis(1-ethyl-3-methyl-2H-imidazole);methane;dichloride;hydrate?
The canonical SMILES for dipotassium;carbanide;dicyanoboranylformonitrile;bis(1-ethyl-3-methyl-2H-imidazole);methane;dichloride;hydrate is C.C.C.CCN1C=CN(C)C1.CCN1C=CN(C)C1.N#CB(C#N)C#N.O.[CH3-].[Cl-].[Cl-].[K+].[K+].
What is the InChIKey of dipotassium;carbanide;dicyanoboranylformonitrile;bis(1-ethyl-3-methyl-2H-imidazole);methane;dichloride;hydrate?
The InChIKey is PVHHBCYGTNASQS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H12N2.C3BN3.3CH4.CH3.2ClH.2K.H2O/c2*1-3-8-5-4-7(2)6-8;5-1-4(2-6)3-7;;;;;;;;;/h2*4-5H,3,6H2,1-2H3;;3*1H4;1H3;2*1H;;;1H2/q;;;;;;-1;;;2*+1;/p-2.
What are the key properties of dipotassium;carbanide;dicyanoboranylformonitrile;bis(1-ethyl-3-methyl-2H-imidazole);methane;dichloride;hydrate?
dipotassium;carbanide;dicyanoboranylformonitrile;bis(1-ethyl-3-methyl-2H-imidazole);methane;dichloride;hydrate has a molecular weight of 543.50 g/mol, XLogP of -9.42, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;carbanide;dicyanoboranylformonitrile;bis(1-ethyl-3-methyl-2H-imidazole);methane;dichloride;hydrate is sourced from PubChem (CID 162269784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).