sodium;1-benzyl-3-[[4-[[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;1-[[4-[[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-[[2-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium;1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazol-1-ium;1,2-bis(chloromethyl)benzene;bis(1,4-bis(chloromethyl)benzene);chloromethylbenzene;1-[[4-(chloromethyl)phenyl]methyl]-3-[[2-[[3-[[4-(chloromethyl)phenyl]methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;hydride;1H-imidazole;1-[2-[2-(2-imidazol-1-ylethyl)phenyl]ethyl]imidazole;1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;trihydrochloride

C189H200Cl12N30Na+9 — CID 158364077

IUPACsodium;1-benzyl-3-[[4-[[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;1-[[4-[[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-[[2-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium;1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazol-1-ium;1,2-bis(chloromethyl)benzene;bis(1,4-bis(chloromethyl)benzene);chloromethylbenzene;1-[[4-(chloromethyl)phenyl]methyl]-3-[[2-[[3-[[4-(chloromethyl)phenyl]methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;hydride;1H-imidazole;1-[2-[2-(2-imidazol-1-ylethyl)phenyl]ethyl]imidazole;1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;trihydrochloride
SMILESCCc1ccc(C[n+]2ccn(Cc3ccc(Cn4cc[n+](Cc5ccccc5)c4)cc3)c2)cc1.C[n+]1ccn(Cc2ccccc2Cn2cc[n+](Cc3ccc(C[n+]4ccn(Cc5ccc(Cn6cc[n+](Cc7ccccc7)c6)cc5)c4)cc3)c2)c1.Cl.Cl.Cl.ClCc1ccc(CCl)cc1.ClCc1ccc(CCl)cc1.ClCc1ccc(C[n+]2ccn(Cc3ccccc3Cn3cc[n+](Cc4ccc(CCl)cc4)c3)c2)cc1.ClCc1ccccc1.ClCc1ccccc1CCl.[H-].[Na+].c1c[nH]cn1.c1ccc(CCn2ccnc2)c(CCn2ccnc2)c1.c1ccc(C[n+]2ccn(Cc3ccc(Cn4ccnc4)cc3)c2)cc1.c1cn(Cc2ccc(Cn3ccnc3)cc2)cn1
InChIInChI=1S/C44H46N8.C30H30Cl2N4.C30H32N4.C21H21N4.C16H18N4.C14H14N4.3C8H8Cl2.C7H7Cl.C3H4N2.3ClH.Na.H/c1-45-19-20-51(34-45)32-43-9-5-6-10-44(43)33-52-26-25-50(37-52)31-42-17-15-41(16-18-42)30-49-24-23-48(36-49)29-40-13-11-39(12-14-40)28-47-22-21-46(35-47)27-38-7-3-2-4-8-38;31-17-25-5-9-27(10-6-25)19-33-13-15-35(23-33)21-29-3-1-2-4-30(29)22-36-16-14-34(24-36)20-28-11-7-26(18-32)8-12-28;1-2-26-8-10-28(11-9-26)21-32-18-19-34(25-32)23-30-14-12-29(13-15-30)22-33-17-16-31(24-33)20-27-6-4-3-5-7-27;1-2-4-19(5-3-1)15-24-12-13-25(18-24)16-21-8-6-20(7-9-21)14-23-11-10-22-17-23;1-2-4-16(6-10-20-12-8-18-14-20)15(3-1)5-9-19-11-7-17-13-19;1-2-14(10-18-8-6-16-12-18)4-3-13(1)9-17-7-5-15-11-17;2*9-5-7-1-2-8(6-10)4-3-7;9-5-7-3-1-2-4-8(7)6-10;8-6-7-4-2-1-3-5-7;1-2-5-3-4-1;;;;;/h2-26,34-37H,27-33H2,1H3;1-16,23-24H,17-22H2;3-19,24-25H,2,20-23H2,1H3;1-13,17-18H,14-16H2;1-4,7-8,11-14H,5-6,9-10H2;1-8,11-12H,9-10H2;3*1-4H,5-6H2;1-5H,6H2;1-3H,(H,4,5);3*1H;;/q+4;2*+2;+1;;;;;;;;;;;+1;-1
InChIKeyUFTKCWRCSRKNRD-UHFFFAOYSA-N
MW3340.31 g/mol
LogP33.64
Rot. Bonds56

About sodium;1-benzyl-3-[[4-[[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;1-[[4-[[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-[[2-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium;1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazol-1-ium;1,2-bis(chloromethyl)benzene;bis(1,4-bis(chloromethyl)benzene);chloromethylbenzene;1-[[4-(chloromethyl)phenyl]methyl]-3-[[2-[[3-[[4-(chloromethyl)phenyl]methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;hydride;1H-imidazole;1-[2-[2-(2-imidazol-1-ylethyl)phenyl]ethyl]imidazole;1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;trihydrochloride

sodium;1-benzyl-3-[[4-[[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;1-[[4-[[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-[[2-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium;1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazol-1-ium;1,2-bis(chloromethyl)benzene;bis(1,4-bis(chloromethyl)benzene);chloromethylbenzene;1-[[4-(chloromethyl)phenyl]methyl]-3-[[2-[[3-[[4-(chloromethyl)phenyl]methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;hydride;1H-imidazole;1-[2-[2-(2-imidazol-1-ylethyl)phenyl]ethyl]imidazole;1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;trihydrochloride (PubChem CID 158364077) has the molecular formula C189H200Cl12N30Na+9 and a molecular weight of 3340.31 g/mol. Its IUPAC name is sodium;1-benzyl-3-[[4-[[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;1-[[4-[[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-[[2-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium;1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazol-1-ium;1,2-bis(chloromethyl)benzene;bis(1,4-bis(chloromethyl)benzene);chloromethylbenzene;1-[[4-(chloromethyl)phenyl]methyl]-3-[[2-[[3-[[4-(chloromethyl)phenyl]methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;hydride;1H-imidazole;1-[2-[2-(2-imidazol-1-ylethyl)phenyl]ethyl]imidazole;1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;trihydrochloride.

Molecular Properties

Compound Namesodium;1-benzyl-3-[[4-[[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;1-[[4-[[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-[[2-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium;1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazol-1-ium;1,2-bis(chloromethyl)benzene;bis(1,4-bis(chloromethyl)benzene);chloromethylbenzene;1-[[4-(chloromethyl)phenyl]methyl]-3-[[2-[[3-[[4-(chloromethyl)phenyl]methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;hydride;1H-imidazole;1-[2-[2-(2-imidazol-1-ylethyl)phenyl]ethyl]imidazole;1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;trihydrochloride
PubChem CID158364077
Molecular FormulaC189H200Cl12N30Na+9
Molecular Weight3340.31 g/mol
Exact Mass3332.27
IUPAC Namesodium;1-benzyl-3-[[4-[[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;1-[[4-[[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-[[2-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium;1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazol-1-ium;1,2-bis(chloromethyl)benzene;bis(1,4-bis(chloromethyl)benzene);chloromethylbenzene;1-[[4-(chloromethyl)phenyl]methyl]-3-[[2-[[3-[[4-(chloromethyl)phenyl]methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;hydride;1H-imidazole;1-[2-[2-(2-imidazol-1-ylethyl)phenyl]ethyl]imidazole;1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;trihydrochloride
SMILESCCc1ccc(C[n+]2ccn(Cc3ccc(Cn4cc[n+](Cc5ccccc5)c4)cc3)c2)cc1.C[n+]1ccn(Cc2ccccc2Cn2cc[n+](Cc3ccc(C[n+]4ccn(Cc5ccc(Cn6cc[n+](Cc7ccccc7)c6)cc5)c4)cc3)c2)c1.Cl.Cl.Cl.ClCc1ccc(CCl)cc1.ClCc1ccc(CCl)cc1.ClCc1ccc(C[n+]2ccn(Cc3ccccc3Cn3cc[n+](Cc4ccc(CCl)cc4)c3)c2)cc1.ClCc1ccccc1.ClCc1ccccc1CCl.[H-].[Na+].c1c[nH]cn1.c1ccc(CCn2ccnc2)c(CCn2ccnc2)c1.c1ccc(C[n+]2ccn(Cc3ccc(Cn4ccnc4)cc3)c2)cc1.c1cn(Cc2ccc(Cn3ccnc3)cc2)cn1
InChIInChI=1S/C44H46N8.C30H30Cl2N4.C30H32N4.C21H21N4.C16H18N4.C14H14N4.3C8H8Cl2.C7H7Cl.C3H4N2.3ClH.Na.H/c1-45-19-20-51(34-45)32-43-9-5-6-10-44(43)33-52-26-25-50(37-52)31-42-17-15-41(16-18-42)30-49-24-23-48(36-49)29-40-13-11-39(12-14-40)28-47-22-21-46(35-47)27-38-7-3-2-4-8-38;31-17-25-5-9-27(10-6-25)19-33-13-15-35(23-33)21-29-3-1-2-4-30(29)22-36-16-14-34(24-36)20-28-11-7-26(18-32)8-12-28;1-2-26-8-10-28(11-9-26)21-32-18-19-34(25-32)23-30-14-12-29(13-15-30)22-33-17-16-31(24-33)20-27-6-4-3-5-7-27;1-2-4-19(5-3-1)15-24-12-13-25(18-24)16-21-8-6-20(7-9-21)14-23-11-10-22-17-23;1-2-4-16(6-10-20-12-8-18-14-20)15(3-1)5-9-19-11-7-17-13-19;1-2-14(10-18-8-6-16-12-18)4-3-13(1)9-17-7-5-15-11-17;2*9-5-7-1-2-8(6-10)4-3-7;9-5-7-3-1-2-4-8(7)6-10;8-6-7-4-2-1-3-5-7;1-2-5-3-4-1;;;;;/h2-26,34-37H,27-33H2,1H3;1-16,23-24H,17-22H2;3-19,24-25H,2,20-23H2,1H3;1-13,17-18H,14-16H2;1-4,7-8,11-14H,5-6,9-10H2;1-8,11-12H,9-10H2;3*1-4H,5-6H2;1-5H,6H2;1-3H,(H,4,5);3*1H;;/q+4;2*+2;+1;;;;;;;;;;;+1;-1
InChIKeyUFTKCWRCSRKNRD-UHFFFAOYSA-N
XLogP33.64
TPSA197.07 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds56
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003340.31
LogP ≤ 533.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze sodium;1-benzyl-3-[[4-[[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;1-[[4-[[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-[[2-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium;1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazol-1-ium;1,2-bis(chloromethyl)benzene;bis(1,4-bis(chloromethyl)benzene);chloromethylbenzene;1-[[4-(chloromethyl)phenyl]methyl]-3-[[2-[[3-[[4-(chloromethyl)phenyl]methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;hydride;1H-imidazole;1-[2-[2-(2-imidazol-1-ylethyl)phenyl]ethyl]imidazole;1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;trihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;1-benzyl-3-[[4-[[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;1-[[4-[[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-[[2-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium;1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazol-1-ium;1,2-bis(chloromethyl)benzene;bis(1,4-bis(chloromethyl)benzene);chloromethylbenzene;1-[[4-(chloromethyl)phenyl]methyl]-3-[[2-[[3-[[4-(chloromethyl)phenyl]methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;hydride;1H-imidazole;1-[2-[2-(2-imidazol-1-ylethyl)phenyl]ethyl]imidazole;1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;trihydrochloride?
The IUPAC name of sodium;1-benzyl-3-[[4-[[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;1-[[4-[[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-[[2-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium;1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazol-1-ium;1,2-bis(chloromethyl)benzene;bis(1,4-bis(chloromethyl)benzene);chloromethylbenzene;1-[[4-(chloromethyl)phenyl]methyl]-3-[[2-[[3-[[4-(chloromethyl)phenyl]methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;hydride;1H-imidazole;1-[2-[2-(2-imidazol-1-ylethyl)phenyl]ethyl]imidazole;1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;trihydrochloride (CID 158364077) is sodium;1-benzyl-3-[[4-[[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;1-[[4-[[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-[[2-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium;1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazol-1-ium;1,2-bis(chloromethyl)benzene;bis(1,4-bis(chloromethyl)benzene);chloromethylbenzene;1-[[4-(chloromethyl)phenyl]methyl]-3-[[2-[[3-[[4-(chloromethyl)phenyl]methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;hydride;1H-imidazole;1-[2-[2-(2-imidazol-1-ylethyl)phenyl]ethyl]imidazole;1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;trihydrochloride.
What is the SMILES notation for sodium;1-benzyl-3-[[4-[[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;1-[[4-[[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-[[2-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium;1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazol-1-ium;1,2-bis(chloromethyl)benzene;bis(1,4-bis(chloromethyl)benzene);chloromethylbenzene;1-[[4-(chloromethyl)phenyl]methyl]-3-[[2-[[3-[[4-(chloromethyl)phenyl]methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;hydride;1H-imidazole;1-[2-[2-(2-imidazol-1-ylethyl)phenyl]ethyl]imidazole;1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;trihydrochloride?
The canonical SMILES for sodium;1-benzyl-3-[[4-[[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;1-[[4-[[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-[[2-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium;1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazol-1-ium;1,2-bis(chloromethyl)benzene;bis(1,4-bis(chloromethyl)benzene);chloromethylbenzene;1-[[4-(chloromethyl)phenyl]methyl]-3-[[2-[[3-[[4-(chloromethyl)phenyl]methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;hydride;1H-imidazole;1-[2-[2-(2-imidazol-1-ylethyl)phenyl]ethyl]imidazole;1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;trihydrochloride is CCc1ccc(C[n+]2ccn(Cc3ccc(Cn4cc[n+](Cc5ccccc5)c4)cc3)c2)cc1.C[n+]1ccn(Cc2ccccc2Cn2cc[n+](Cc3ccc(C[n+]4ccn(Cc5ccc(Cn6cc[n+](Cc7ccccc7)c6)cc5)c4)cc3)c2)c1.Cl.Cl.Cl.ClCc1ccc(CCl)cc1.ClCc1ccc(CCl)cc1.ClCc1ccc(C[n+]2ccn(Cc3ccccc3Cn3cc[n+](Cc4ccc(CCl)cc4)c3)c2)cc1.ClCc1ccccc1.ClCc1ccccc1CCl.[H-].[Na+].c1c[nH]cn1.c1ccc(CCn2ccnc2)c(CCn2ccnc2)c1.c1ccc(C[n+]2ccn(Cc3ccc(Cn4ccnc4)cc3)c2)cc1.c1cn(Cc2ccc(Cn3ccnc3)cc2)cn1.
What is the InChIKey of sodium;1-benzyl-3-[[4-[[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;1-[[4-[[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-[[2-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium;1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazol-1-ium;1,2-bis(chloromethyl)benzene;bis(1,4-bis(chloromethyl)benzene);chloromethylbenzene;1-[[4-(chloromethyl)phenyl]methyl]-3-[[2-[[3-[[4-(chloromethyl)phenyl]methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;hydride;1H-imidazole;1-[2-[2-(2-imidazol-1-ylethyl)phenyl]ethyl]imidazole;1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;trihydrochloride?
The InChIKey is UFTKCWRCSRKNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46N8.C30H30Cl2N4.C30H32N4.C21H21N4.C16H18N4.C14H14N4.3C8H8Cl2.C7H7Cl.C3H4N2.3ClH.Na.H/c1-45-19-20-51(34-45)32-43-9-5-6-10-44(43)33-52-26-25-50(37-52)31-42-17-15-41(16-18-42)30-49-24-23-48(36-49)29-40-13-11-39(12-14-40)28-47-22-21-46(35-47)27-38-7-3-2-4-8-38;31-17-25-5-9-27(10-6-25)19-33-13-15-35(23-33)21-29-3-1-2-4-30(29)22-36-16-14-34(24-36)20-28-11-7-26(18-32)8-12-28;1-2-26-8-10-28(11-9-26)21-32-18-19-34(25-32)23-30-14-12-29(13-15-30)22-33-17-16-31(24-33)20-27-6-4-3-5-7-27;1-2-4-19(5-3-1)15-24-12-13-25(18-24)16-21-8-6-20(7-9-21)14-23-11-10-22-17-23;1-2-4-16(6-10-20-12-8-18-14-20)15(3-1)5-9-19-11-7-17-13-19;1-2-14(10-18-8-6-16-12-18)4-3-13(1)9-17-7-5-15-11-17;2*9-5-7-1-2-8(6-10)4-3-7;9-5-7-3-1-2-4-8(7)6-10;8-6-7-4-2-1-3-5-7;1-2-5-3-4-1;;;;;/h2-26,34-37H,27-33H2,1H3;1-16,23-24H,17-22H2;3-19,24-25H,2,20-23H2,1H3;1-13,17-18H,14-16H2;1-4,7-8,11-14H,5-6,9-10H2;1-8,11-12H,9-10H2;3*1-4H,5-6H2;1-5H,6H2;1-3H,(H,4,5);3*1H;;/q+4;2*+2;+1;;;;;;;;;;;+1;-1.
What are the key properties of sodium;1-benzyl-3-[[4-[[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;1-[[4-[[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-[[2-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium;1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazol-1-ium;1,2-bis(chloromethyl)benzene;bis(1,4-bis(chloromethyl)benzene);chloromethylbenzene;1-[[4-(chloromethyl)phenyl]methyl]-3-[[2-[[3-[[4-(chloromethyl)phenyl]methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;hydride;1H-imidazole;1-[2-[2-(2-imidazol-1-ylethyl)phenyl]ethyl]imidazole;1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;trihydrochloride?
sodium;1-benzyl-3-[[4-[[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;1-[[4-[[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-[[2-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium;1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazol-1-ium;1,2-bis(chloromethyl)benzene;bis(1,4-bis(chloromethyl)benzene);chloromethylbenzene;1-[[4-(chloromethyl)phenyl]methyl]-3-[[2-[[3-[[4-(chloromethyl)phenyl]methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;hydride;1H-imidazole;1-[2-[2-(2-imidazol-1-ylethyl)phenyl]ethyl]imidazole;1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;trihydrochloride has a molecular weight of 3340.31 g/mol, XLogP of 33.64, 56 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-benzyl-3-[[4-[[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;1-[[4-[[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-[[2-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium;1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazol-1-ium;1,2-bis(chloromethyl)benzene;bis(1,4-bis(chloromethyl)benzene);chloromethylbenzene;1-[[4-(chloromethyl)phenyl]methyl]-3-[[2-[[3-[[4-(chloromethyl)phenyl]methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;hydride;1H-imidazole;1-[2-[2-(2-imidazol-1-ylethyl)phenyl]ethyl]imidazole;1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;trihydrochloride is sourced from PubChem (CID 158364077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).