dicesium;dipotassium;bis(acetonitrile);1-bromo-2-chloroethane;3-chloro-4-[(2R)-4-(2-chloroethyl)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-(2-imidazol-1-ylethyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;hydride;1H-imidazole;oxido formate

C69H72BrCl8Cs2K2N15O6 — CID 157179932

About dicesium;dipotassium;bis(acetonitrile);1-bromo-2-chloroethane;3-chloro-4-[(2R)-4-(2-chloroethyl)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-(2-imidazol-1-ylethyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;hydride;1H-imidazole;oxido formate

dicesium;dipotassium;bis(acetonitrile);1-bromo-2-chloroethane;3-chloro-4-[(2R)-4-(2-chloroethyl)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-(2-imidazol-1-ylethyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;hydride;1H-imidazole;oxido formate (PubChem CID 157179932) has the molecular formula C69H72BrCl8Cs2K2N15O6 and a molecular weight of 1914.97 g/mol. Its IUPAC name is dicesium;dipotassium;bis(acetonitrile);1-bromo-2-chloroethane;3-chloro-4-[(2R)-4-(2-chloroethyl)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-(2-imidazol-1-ylethyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;hydride;1H-imidazole;oxido formate.

Molecular Properties

• Compound Name: dicesium;dipotassium;bis(acetonitrile);1-bromo-2-chloroethane;3-chloro-4-[(2R)-4-(2-chloroethyl)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-(2-imidazol-1-ylethyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;hydride;1H-imidazole;oxido formate
• PubChem CID: 157179932
• Molecular Formula: C69H72BrCl8Cs2K2N15O6
• Molecular Weight: 1914.97 g/mol
• Exact Mass: 1908.99
• IUPAC Name: dicesium;dipotassium;bis(acetonitrile);1-bromo-2-chloroethane;3-chloro-4-[(2R)-4-(2-chloroethyl)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-(2-imidazol-1-ylethyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;hydride;1H-imidazole;oxido formate
• SMILES: CC#N.CC#N.ClCCBr.N#Cc1ccc(N2CCN(CCCl)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.N#Cc1ccc(N2CCN(CCn3ccnc3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.N#Cc1ccc(N2CCNC[C@H]2c2ccc(Cl)cc2)c(Cl)c1.O=CO[O-].O=CO[O-].[Cs+].[Cs+].[H-].[H-].[K+].[K+].c1c[nH]cn1
• InChI: InChI=1S/C22H21Cl2N5.C19H18Cl3N3.C17H15Cl2N3.C3H4N2.C2H4BrCl.2C2H3N.2CH2O3.2Cs.2K.2H/c23-19-4-2-18(3-5-19)22-15-27(9-10-28-8-7-26-16-28)11-12-29(22)21-6-1-17(14-25)13-20(21)24;20-7-8-24-9-10-25(18-6-1-14(12-23)11-17(18)22)19(13-24)15-2-4-16(21)5-3-15;18-14-4-2-13(3-5-14)17-11-21-7-8-22(17)16-6-1-12(10-20)9-15(16)19;1-2-5-3-4-1;3-1-2-4;2*1-2-3;2*2-1-4-3;;;;;;/h1-8,13,16,22H,9-12,15H2;1-6,11,19H,7-10,13H2;1-6,9,17,21H,7-8,11H2;1-3H,(H,4,5);1-2H2;2*1H3;2*1,3H;;;;;;/q;;;;;;;;;4*+1;2*-1/p-2/t22-;19-;17-;;;;;;;;;;;;/m000............/s1
• InChIKey: FAONYHDGUQIYNA-BJVWBPJNSA-L
• XLogP: 1.81
• TPSA: 292.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1914.97
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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'}

Frequently Asked Questions

What is the IUPAC name of dicesium;dipotassium;bis(acetonitrile);1-bromo-2-chloroethane;3-chloro-4-[(2R)-4-(2-chloroethyl)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-(2-imidazol-1-ylethyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;hydride;1H-imidazole;oxido formate?

The IUPAC name of dicesium;dipotassium;bis(acetonitrile);1-bromo-2-chloroethane;3-chloro-4-[(2R)-4-(2-chloroethyl)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-(2-imidazol-1-ylethyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;hydride;1H-imidazole;oxido formate (CID 157179932) is dicesium;dipotassium;bis(acetonitrile);1-bromo-2-chloroethane;3-chloro-4-[(2R)-4-(2-chloroethyl)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-(2-imidazol-1-ylethyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;hydride;1H-imidazole;oxido formate.

What is the SMILES notation for dicesium;dipotassium;bis(acetonitrile);1-bromo-2-chloroethane;3-chloro-4-[(2R)-4-(2-chloroethyl)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-(2-imidazol-1-ylethyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;hydride;1H-imidazole;oxido formate?

The canonical SMILES for dicesium;dipotassium;bis(acetonitrile);1-bromo-2-chloroethane;3-chloro-4-[(2R)-4-(2-chloroethyl)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-(2-imidazol-1-ylethyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;hydride;1H-imidazole;oxido formate is CC#N.CC#N.ClCCBr.N#Cc1ccc(N2CCN(CCCl)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.N#Cc1ccc(N2CCN(CCn3ccnc3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.N#Cc1ccc(N2CCNC[C@H]2c2ccc(Cl)cc2)c(Cl)c1.O=CO[O-].O=CO[O-].[Cs+].[Cs+].[H-].[H-].[K+].[K+].c1c[nH]cn1.

What is the InChIKey of dicesium;dipotassium;bis(acetonitrile);1-bromo-2-chloroethane;3-chloro-4-[(2R)-4-(2-chloroethyl)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-(2-imidazol-1-ylethyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;hydride;1H-imidazole;oxido formate?

The InChIKey is FAONYHDGUQIYNA-BJVWBPJNSA-L. The full InChI is InChI=1S/C22H21Cl2N5.C19H18Cl3N3.C17H15Cl2N3.C3H4N2.C2H4BrCl.2C2H3N.2CH2O3.2Cs.2K.2H/c23-19-4-2-18(3-5-19)22-15-27(9-10-28-8-7-26-16-28)11-12-29(22)21-6-1-17(14-25)13-20(21)24;20-7-8-24-9-10-25(18-6-1-14(12-23)11-17(18)22)19(13-24)15-2-4-16(21)5-3-15;18-14-4-2-13(3-5-14)17-11-21-7-8-22(17)16-6-1-12(10-20)9-15(16)19;1-2-5-3-4-1;3-1-2-4;2*1-2-3;2*2-1-4-3;;;;;;/h1-8,13,16,22H,9-12,15H2;1-6,11,19H,7-10,13H2;1-6,9,17,21H,7-8,11H2;1-3H,(H,4,5);1-2H2;2*1H3;2*1,3H;;;;;;/q;;;;;;;;;4*+1;2*-1/p-2/t22-;19-;17-;;;;;;;;;;;;/m000............/s1.

What are the key properties of dicesium;dipotassium;bis(acetonitrile);1-bromo-2-chloroethane;3-chloro-4-[(2R)-4-(2-chloroethyl)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-(2-imidazol-1-ylethyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;hydride;1H-imidazole;oxido formate?

dicesium;dipotassium;bis(acetonitrile);1-bromo-2-chloroethane;3-chloro-4-[(2R)-4-(2-chloroethyl)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-(2-imidazol-1-ylethyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;hydride;1H-imidazole;oxido formate has a molecular weight of 1914.97 g/mol, XLogP of 1.81, 14 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;dipotassium;bis(acetonitrile);1-bromo-2-chloroethane;3-chloro-4-[(2R)-4-(2-chloroethyl)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-(2-imidazol-1-ylethyl)piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;hydride;1H-imidazole;oxido formate is sourced from PubChem (CID 157179932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).