dipotassium;acetic acid;2-(2-acetylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone;6-(2-aminoethylamino)pyridine-3-carbonitrile;azane;2-bromo-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazine;6-(2,4-dichlorophenyl)-7H-imidazo[1,2-a]pyrazin-8-one;6-[3-[[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyridine-3-carbonitrile;hydride;1-(1H-imidazol-2-yl)ethanone;methane;oxido formate;phosphoryl trichloride

C85H77BrCl14K2N21O13P — CID 157434656

IUPACdipotassium;acetic acid;2-(2-acetylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone;6-(2-aminoethylamino)pyridine-3-carbonitrile;azane;2-bromo-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazine;6-(2,4-dichlorophenyl)-7H-imidazo[1,2-a]pyrazin-8-one;6-[3-[[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyridine-3-carbonitrile;hydride;1-(1H-imidazol-2-yl)ethanone;methane;oxido formate;phosphoryl trichloride
SMILESC.CC(=O)O.CC(=O)O.CC(=O)c1ncc[nH]1.CC(=O)c1nccn1CC(=O)c1ccc(Cl)cc1Cl.Clc1ccc(-c2cn3ccnc3c(Cl)n2)c(Cl)c1.N.N#Cc1ccc(CCCNc2nc(-c3ccc(Cl)cc3Cl)cn3ccnc23)nc1.N#Cc1ccc(NCCN)nc1.O=C(CBr)c1ccc(Cl)cc1Cl.O=CO[O-].O=P(Cl)(Cl)Cl.O=c1[nH]c(-c2ccc(Cl)cc2Cl)cn2ccnc12.[H-].[K+].[K+]
InChIInChI=1S/C21H16Cl2N6.C13H10Cl2N2O2.C12H6Cl3N3.C12H7Cl2N3O.C8H5BrCl2O.C8H10N4.C5H6N2O.2C2H4O2.CH2O3.CH4.Cl3OP.2K.H3N.H/c22-15-4-6-17(18(23)10-15)19-13-29-9-8-26-21(29)20(28-19)25-7-1-2-16-5-3-14(11-24)12-27-16;1-8(18)13-16-4-5-17(13)7-12(19)10-3-2-9(14)6-11(10)15;13-7-1-2-8(9(14)5-7)10-6-18-4-3-16-12(18)11(15)17-10;13-7-1-2-8(9(14)5-7)10-6-17-4-3-15-11(17)12(18)16-10;9-4-8(12)6-2-1-5(10)3-7(6)11;9-3-4-11-8-2-1-7(5-10)6-12-8;1-4(8)5-6-2-3-7-5;2*1-2(3)4;2-1-4-3;;1-5(2,3)4;;;;/h3-6,8-10,12-13H,1-2,7H2,(H,25,28);2-6H,7H2,1H3;1-6H;1-6H,(H,16,18);1-3H,4H2;1-2,6H,3-4,9H2,(H,11,12);2-3H,1H3,(H,6,7);2*1H3,(H,3,4);1,3H;1H4;;;;1H3;/q;;;;;;;;;;;;2*+1;;-1/p-1
InChIKeyINCCEMYIFOEZTB-UHFFFAOYSA-M
MW2286.10 g/mol
LogP16.50
Rot. Bonds19

About dipotassium;acetic acid;2-(2-acetylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone;6-(2-aminoethylamino)pyridine-3-carbonitrile;azane;2-bromo-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazine;6-(2,4-dichlorophenyl)-7H-imidazo[1,2-a]pyrazin-8-one;6-[3-[[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyridine-3-carbonitrile;hydride;1-(1H-imidazol-2-yl)ethanone;methane;oxido formate;phosphoryl trichloride

dipotassium;acetic acid;2-(2-acetylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone;6-(2-aminoethylamino)pyridine-3-carbonitrile;azane;2-bromo-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazine;6-(2,4-dichlorophenyl)-7H-imidazo[1,2-a]pyrazin-8-one;6-[3-[[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyridine-3-carbonitrile;hydride;1-(1H-imidazol-2-yl)ethanone;methane;oxido formate;phosphoryl trichloride (PubChem CID 157434656) has the molecular formula C85H77BrCl14K2N21O13P and a molecular weight of 2286.10 g/mol. Its IUPAC name is dipotassium;acetic acid;2-(2-acetylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone;6-(2-aminoethylamino)pyridine-3-carbonitrile;azane;2-bromo-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazine;6-(2,4-dichlorophenyl)-7H-imidazo[1,2-a]pyrazin-8-one;6-[3-[[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyridine-3-carbonitrile;hydride;1-(1H-imidazol-2-yl)ethanone;methane;oxido formate;phosphoryl trichloride.

Molecular Properties

Compound Namedipotassium;acetic acid;2-(2-acetylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone;6-(2-aminoethylamino)pyridine-3-carbonitrile;azane;2-bromo-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazine;6-(2,4-dichlorophenyl)-7H-imidazo[1,2-a]pyrazin-8-one;6-[3-[[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyridine-3-carbonitrile;hydride;1-(1H-imidazol-2-yl)ethanone;methane;oxido formate;phosphoryl trichloride
PubChem CID157434656
Molecular FormulaC85H77BrCl14K2N21O13P
Molecular Weight2286.10 g/mol
Exact Mass2276.98
IUPAC Namedipotassium;acetic acid;2-(2-acetylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone;6-(2-aminoethylamino)pyridine-3-carbonitrile;azane;2-bromo-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazine;6-(2,4-dichlorophenyl)-7H-imidazo[1,2-a]pyrazin-8-one;6-[3-[[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyridine-3-carbonitrile;hydride;1-(1H-imidazol-2-yl)ethanone;methane;oxido formate;phosphoryl trichloride
SMILESC.CC(=O)O.CC(=O)O.CC(=O)c1ncc[nH]1.CC(=O)c1nccn1CC(=O)c1ccc(Cl)cc1Cl.Clc1ccc(-c2cn3ccnc3c(Cl)n2)c(Cl)c1.N.N#Cc1ccc(CCCNc2nc(-c3ccc(Cl)cc3Cl)cn3ccnc23)nc1.N#Cc1ccc(NCCN)nc1.O=C(CBr)c1ccc(Cl)cc1Cl.O=CO[O-].O=P(Cl)(Cl)Cl.O=c1[nH]c(-c2ccc(Cl)cc2Cl)cn2ccnc12.[H-].[K+].[K+]
InChIInChI=1S/C21H16Cl2N6.C13H10Cl2N2O2.C12H6Cl3N3.C12H7Cl2N3O.C8H5BrCl2O.C8H10N4.C5H6N2O.2C2H4O2.CH2O3.CH4.Cl3OP.2K.H3N.H/c22-15-4-6-17(18(23)10-15)19-13-29-9-8-26-21(29)20(28-19)25-7-1-2-16-5-3-14(11-24)12-27-16;1-8(18)13-16-4-5-17(13)7-12(19)10-3-2-9(14)6-11(10)15;13-7-1-2-8(9(14)5-7)10-6-18-4-3-16-12(18)11(15)17-10;13-7-1-2-8(9(14)5-7)10-6-17-4-3-15-11(17)12(18)16-10;9-4-8(12)6-2-1-5(10)3-7(6)11;9-3-4-11-8-2-1-7(5-10)6-12-8;1-4(8)5-6-2-3-7-5;2*1-2(3)4;2-1-4-3;;1-5(2,3)4;;;;/h3-6,8-10,12-13H,1-2,7H2,(H,25,28);2-6H,7H2,1H3;1-6H;1-6H,(H,16,18);1-3H,4H2;1-2,6H,3-4,9H2,(H,11,12);2-3H,1H3,(H,6,7);2*1H3,(H,3,4);1,3H;1H4;;;;1H3;/q;;;;;;;;;;;;2*+1;;-1/p-1
InChIKeyINCCEMYIFOEZTB-UHFFFAOYSA-M
XLogP16.50
TPSA524.79 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds19
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002286.10
LogP ≤ 516.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;acetic acid;2-(2-acetylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone;6-(2-aminoethylamino)pyridine-3-carbonitrile;azane;2-bromo-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazine;6-(2,4-dichlorophenyl)-7H-imidazo[1,2-a]pyrazin-8-one;6-[3-[[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyridine-3-carbonitrile;hydride;1-(1H-imidazol-2-yl)ethanone;methane;oxido formate;phosphoryl trichloride with MolForge

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Related Compounds

dipotassium;6-(2-aminoethylamino)pyridine-3-carbonitrile;2-chloro-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazine;6-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[1,5-a]pyrazin-8-one;6-[2-[[6-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]ethylamino]pyridine-3-carbonitrile;hydride;methyl 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;oxido formate;phosphoryl trichloride
CID 160325802
dipotassium;acetic acid;2-(2-acetylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone;6-(3-aminopropyl)pyridine-3-carbonitrile;azane;2-bromo-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazine;6-(2,4-dichlorophenyl)-7H-imidazo[1,2-a]pyrazin-8-one;6-[3-[[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyridine-3-carbonitrile;hydride;1-(1H-imidazol-2-yl)ethanone;methane;oxido formate;phosphoryl trichloride
CID 162000688
2-bromo-1-(4-chlorophenyl)ethanone;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-iodoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine;2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;3-chloropyrazin-2-amine
CID 162013073

Frequently Asked Questions

What is the IUPAC name of dipotassium;acetic acid;2-(2-acetylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone;6-(2-aminoethylamino)pyridine-3-carbonitrile;azane;2-bromo-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazine;6-(2,4-dichlorophenyl)-7H-imidazo[1,2-a]pyrazin-8-one;6-[3-[[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyridine-3-carbonitrile;hydride;1-(1H-imidazol-2-yl)ethanone;methane;oxido formate;phosphoryl trichloride?
The IUPAC name of dipotassium;acetic acid;2-(2-acetylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone;6-(2-aminoethylamino)pyridine-3-carbonitrile;azane;2-bromo-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazine;6-(2,4-dichlorophenyl)-7H-imidazo[1,2-a]pyrazin-8-one;6-[3-[[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyridine-3-carbonitrile;hydride;1-(1H-imidazol-2-yl)ethanone;methane;oxido formate;phosphoryl trichloride (CID 157434656) is dipotassium;acetic acid;2-(2-acetylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone;6-(2-aminoethylamino)pyridine-3-carbonitrile;azane;2-bromo-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazine;6-(2,4-dichlorophenyl)-7H-imidazo[1,2-a]pyrazin-8-one;6-[3-[[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyridine-3-carbonitrile;hydride;1-(1H-imidazol-2-yl)ethanone;methane;oxido formate;phosphoryl trichloride.
What is the SMILES notation for dipotassium;acetic acid;2-(2-acetylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone;6-(2-aminoethylamino)pyridine-3-carbonitrile;azane;2-bromo-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazine;6-(2,4-dichlorophenyl)-7H-imidazo[1,2-a]pyrazin-8-one;6-[3-[[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyridine-3-carbonitrile;hydride;1-(1H-imidazol-2-yl)ethanone;methane;oxido formate;phosphoryl trichloride?
The canonical SMILES for dipotassium;acetic acid;2-(2-acetylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone;6-(2-aminoethylamino)pyridine-3-carbonitrile;azane;2-bromo-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazine;6-(2,4-dichlorophenyl)-7H-imidazo[1,2-a]pyrazin-8-one;6-[3-[[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyridine-3-carbonitrile;hydride;1-(1H-imidazol-2-yl)ethanone;methane;oxido formate;phosphoryl trichloride is C.CC(=O)O.CC(=O)O.CC(=O)c1ncc[nH]1.CC(=O)c1nccn1CC(=O)c1ccc(Cl)cc1Cl.Clc1ccc(-c2cn3ccnc3c(Cl)n2)c(Cl)c1.N.N#Cc1ccc(CCCNc2nc(-c3ccc(Cl)cc3Cl)cn3ccnc23)nc1.N#Cc1ccc(NCCN)nc1.O=C(CBr)c1ccc(Cl)cc1Cl.O=CO[O-].O=P(Cl)(Cl)Cl.O=c1[nH]c(-c2ccc(Cl)cc2Cl)cn2ccnc12.[H-].[K+].[K+].
What is the InChIKey of dipotassium;acetic acid;2-(2-acetylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone;6-(2-aminoethylamino)pyridine-3-carbonitrile;azane;2-bromo-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazine;6-(2,4-dichlorophenyl)-7H-imidazo[1,2-a]pyrazin-8-one;6-[3-[[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyridine-3-carbonitrile;hydride;1-(1H-imidazol-2-yl)ethanone;methane;oxido formate;phosphoryl trichloride?
The InChIKey is INCCEMYIFOEZTB-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H16Cl2N6.C13H10Cl2N2O2.C12H6Cl3N3.C12H7Cl2N3O.C8H5BrCl2O.C8H10N4.C5H6N2O.2C2H4O2.CH2O3.CH4.Cl3OP.2K.H3N.H/c22-15-4-6-17(18(23)10-15)19-13-29-9-8-26-21(29)20(28-19)25-7-1-2-16-5-3-14(11-24)12-27-16;1-8(18)13-16-4-5-17(13)7-12(19)10-3-2-9(14)6-11(10)15;13-7-1-2-8(9(14)5-7)10-6-18-4-3-16-12(18)11(15)17-10;13-7-1-2-8(9(14)5-7)10-6-17-4-3-15-11(17)12(18)16-10;9-4-8(12)6-2-1-5(10)3-7(6)11;9-3-4-11-8-2-1-7(5-10)6-12-8;1-4(8)5-6-2-3-7-5;2*1-2(3)4;2-1-4-3;;1-5(2,3)4;;;;/h3-6,8-10,12-13H,1-2,7H2,(H,25,28);2-6H,7H2,1H3;1-6H;1-6H,(H,16,18);1-3H,4H2;1-2,6H,3-4,9H2,(H,11,12);2-3H,1H3,(H,6,7);2*1H3,(H,3,4);1,3H;1H4;;;;1H3;/q;;;;;;;;;;;;2*+1;;-1/p-1.
What are the key properties of dipotassium;acetic acid;2-(2-acetylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone;6-(2-aminoethylamino)pyridine-3-carbonitrile;azane;2-bromo-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazine;6-(2,4-dichlorophenyl)-7H-imidazo[1,2-a]pyrazin-8-one;6-[3-[[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyridine-3-carbonitrile;hydride;1-(1H-imidazol-2-yl)ethanone;methane;oxido formate;phosphoryl trichloride?
dipotassium;acetic acid;2-(2-acetylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone;6-(2-aminoethylamino)pyridine-3-carbonitrile;azane;2-bromo-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazine;6-(2,4-dichlorophenyl)-7H-imidazo[1,2-a]pyrazin-8-one;6-[3-[[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyridine-3-carbonitrile;hydride;1-(1H-imidazol-2-yl)ethanone;methane;oxido formate;phosphoryl trichloride has a molecular weight of 2286.10 g/mol, XLogP of 16.50, 19 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;acetic acid;2-(2-acetylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone;6-(2-aminoethylamino)pyridine-3-carbonitrile;azane;2-bromo-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazine;6-(2,4-dichlorophenyl)-7H-imidazo[1,2-a]pyrazin-8-one;6-[3-[[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyridine-3-carbonitrile;hydride;1-(1H-imidazol-2-yl)ethanone;methane;oxido formate;phosphoryl trichloride is sourced from PubChem (CID 157434656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).