dilithium;tetrakis(chlorozinc(1+));bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine);bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine);dichloride

C58H52Cl6F16Li2N20S4Zn4 — CID 163511414

IUPACdilithium;tetrakis(chlorozinc(1+));bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine);bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine);dichloride
SMILESCCSc1c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3n2C)n[c-]n1C.CCSc1c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3n2C)n[c-]n1C.CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)n[c-]n1C.CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)n[c-]n1C.Cl[Zn+].Cl[Zn+].Cl[Zn+].Cl[Zn+].[Cl-].[Cl-].[Li+].[Li+]
InChIInChI=1S/2C15H13F5N5S.2C14H13F3N5S.6ClH.2Li.4Zn/c2*1-4-26-13-11(22-7-24(13)2)12-23-8-5-10(14(16,17)15(18,19)20)21-6-9(8)25(12)3;2*1-4-23-13-11(19-7-21(13)2)12-20-8-5-10(14(15,16)17)18-6-9(8)22(12)3;;;;;;;;;;;;/h2*5-6H,4H2,1-3H3;2*5-6H,4H2,1-3H3;6*1H;;;;;;/q4*-1;;;;;;;2*+1;4*+2/p-6
InChIKeySGGWIEMEMVYVFA-UHFFFAOYSA-H
MW1949.59 g/mol
LogP5.23
Rot. Bonds14

About dilithium;tetrakis(chlorozinc(1+));bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine);bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine);dichloride

dilithium;tetrakis(chlorozinc(1+));bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine);bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine);dichloride (PubChem CID 163511414) has the molecular formula C58H52Cl6F16Li2N20S4Zn4 and a molecular weight of 1949.59 g/mol. Its IUPAC name is dilithium;tetrakis(chlorozinc(1+));bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine);bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine);dichloride.

Molecular Properties

Compound Namedilithium;tetrakis(chlorozinc(1+));bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine);bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine);dichloride
PubChem CID163511414
Molecular FormulaC58H52Cl6F16Li2N20S4Zn4
Molecular Weight1949.59 g/mol
Exact Mass1939.89
IUPAC Namedilithium;tetrakis(chlorozinc(1+));bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine);bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine);dichloride
SMILESCCSc1c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3n2C)n[c-]n1C.CCSc1c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3n2C)n[c-]n1C.CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)n[c-]n1C.CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)n[c-]n1C.Cl[Zn+].Cl[Zn+].Cl[Zn+].Cl[Zn+].[Cl-].[Cl-].[Li+].[Li+]
InChIInChI=1S/2C15H13F5N5S.2C14H13F3N5S.6ClH.2Li.4Zn/c2*1-4-26-13-11(22-7-24(13)2)12-23-8-5-10(14(16,17)15(18,19)20)21-6-9(8)25(12)3;2*1-4-23-13-11(19-7-21(13)2)12-20-8-5-10(14(15,16)17)18-6-9(8)22(12)3;;;;;;;;;;;;/h2*5-6H,4H2,1-3H3;2*5-6H,4H2,1-3H3;6*1H;;;;;;/q4*-1;;;;;;;2*+1;4*+2/p-6
InChIKeySGGWIEMEMVYVFA-UHFFFAOYSA-H
XLogP5.23
TPSA194.12 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001949.59
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze dilithium;tetrakis(chlorozinc(1+));bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine);bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine);dichloride with MolForge

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Related Compounds

2-(5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine
CID 147923115
2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135222430
2-[2-(4-chloropyrazol-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135235222
2-[5-(3,5-difluoro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine
CID 146383925
5-ethylsulfanyl-2-iodo-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
CID 147995964
2-[6-(3,5-dichloro-4-fluorophenyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430886
2-(8-chloro-3-ethylsulfanyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 134274298
2-(3-ethylsulfanyl-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 134274320
3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]thieno[2,3-b]pyridine
CID 130380491
2-[5-[(1E,3Z)-2-chloropenta-1,3-dienyl]-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 145301709
2-[5-(4-chloro-2-pyridinyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 130438567
5-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine
CID 154980356

Frequently Asked Questions

What is the IUPAC name of dilithium;tetrakis(chlorozinc(1+));bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine);bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine);dichloride?
The IUPAC name of dilithium;tetrakis(chlorozinc(1+));bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine);bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine);dichloride (CID 163511414) is dilithium;tetrakis(chlorozinc(1+));bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine);bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine);dichloride.
What is the SMILES notation for dilithium;tetrakis(chlorozinc(1+));bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine);bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine);dichloride?
The canonical SMILES for dilithium;tetrakis(chlorozinc(1+));bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine);bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine);dichloride is CCSc1c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3n2C)n[c-]n1C.CCSc1c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3n2C)n[c-]n1C.CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)n[c-]n1C.CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)n[c-]n1C.Cl[Zn+].Cl[Zn+].Cl[Zn+].Cl[Zn+].[Cl-].[Cl-].[Li+].[Li+].
What is the InChIKey of dilithium;tetrakis(chlorozinc(1+));bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine);bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine);dichloride?
The InChIKey is SGGWIEMEMVYVFA-UHFFFAOYSA-H. The full InChI is InChI=1S/2C15H13F5N5S.2C14H13F3N5S.6ClH.2Li.4Zn/c2*1-4-26-13-11(22-7-24(13)2)12-23-8-5-10(14(16,17)15(18,19)20)21-6-9(8)25(12)3;2*1-4-23-13-11(19-7-21(13)2)12-20-8-5-10(14(15,16)17)18-6-9(8)22(12)3;;;;;;;;;;;;/h2*5-6H,4H2,1-3H3;2*5-6H,4H2,1-3H3;6*1H;;;;;;/q4*-1;;;;;;;2*+1;4*+2/p-6.
What are the key properties of dilithium;tetrakis(chlorozinc(1+));bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine);bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine);dichloride?
dilithium;tetrakis(chlorozinc(1+));bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine);bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine);dichloride has a molecular weight of 1949.59 g/mol, XLogP of 5.23, 14 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;tetrakis(chlorozinc(1+));bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine);bis(2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine);dichloride is sourced from PubChem (CID 163511414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).