dicesium;acetic acid;acetyl acetate;N-[2-[(6-chloropyrazin-2-yl)amino]-4-(trifluoromethyl)phenyl]acetamide;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethyl)benzimidazole;2,6-dichloropyrazine;hydride;methane;4-methylaniline;1-methyl-2-nitro-4-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)aniline;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-nitro-4-(trifluoromethyl)aniline;oxido formate

C88H77Cl4Cs2F21N20O13 — CID 161028921

IUPACdicesium;acetic acid;acetyl acetate;N-[2-[(6-chloropyrazin-2-yl)amino]-4-(trifluoromethyl)phenyl]acetamide;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethyl)benzimidazole;2,6-dichloropyrazine;hydride;methane;4-methylaniline;1-methyl-2-nitro-4-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)aniline;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-nitro-4-(trifluoromethyl)aniline;oxido formate
SMILESC.CC(=O)Nc1ccc(C(F)(F)F)cc1Nc1cncc(Cl)n1.CC(=O)O.CC(=O)OC(C)=O.Cc1ccc(C(F)(F)F)cc1N.Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-].Cc1ccc(N)cc1.Cc1nc2ccc(C(F)(F)F)cc2n1-c1cncc(Cl)n1.Cc1nc2ccc(C(F)(F)F)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Clc1cncc(Cl)n1.Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-].O=CO[O-].[Cs+].[Cs+].[H-]
InChIInChI=1S/C20H13F6N5.C13H10ClF3N4O.C13H8ClF3N4.C8H6F3NO2.C8H8F3N.C7H5F3N2O2.C7H9N.C4H2Cl2N2.C4H6O3.C2H4O2.CH2O3.CH4.2Cs.H/c1-11-28-15-7-4-13(20(24,25)26)8-16(15)31(11)18-10-27-9-17(30-18)29-14-5-2-12(3-6-14)19(21,22)23;1-7(22)19-9-3-2-8(13(15,16)17)4-10(9)20-12-6-18-5-11(14)21-12;1-7-19-9-3-2-8(13(15,16)17)4-10(9)21(7)12-6-18-5-11(14)20-12;1-5-2-3-6(8(9,10)11)4-7(5)12(13)14;1-5-2-3-6(4-7(5)12)8(9,10)11;8-7(9,10)4-1-2-5(11)6(3-4)12(13)14;1-6-2-4-7(8)5-3-6;5-3-1-7-2-4(6)8-3;1-3(5)7-4(2)6;1-2(3)4;2-1-4-3;;;;/h2-10H,1H3,(H,29,30);2-6H,1H3,(H,19,22)(H,20,21);2-6H,1H3;2-4H,1H3;2-4H,12H2,1H3;1-3H,11H2;2-5H,8H2,1H3;1-2H;1-2H3;1H3,(H,3,4);1,3H;1H4;;;/q;;;;;;;;;;;;2*+1;-1/p-1
InChIKeyFRFDASBFBXYTLJ-UHFFFAOYSA-M
MW2429.29 g/mol
LogP18.00
Rot. Bonds10

About dicesium;acetic acid;acetyl acetate;N-[2-[(6-chloropyrazin-2-yl)amino]-4-(trifluoromethyl)phenyl]acetamide;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethyl)benzimidazole;2,6-dichloropyrazine;hydride;methane;4-methylaniline;1-methyl-2-nitro-4-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)aniline;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-nitro-4-(trifluoromethyl)aniline;oxido formate

dicesium;acetic acid;acetyl acetate;N-[2-[(6-chloropyrazin-2-yl)amino]-4-(trifluoromethyl)phenyl]acetamide;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethyl)benzimidazole;2,6-dichloropyrazine;hydride;methane;4-methylaniline;1-methyl-2-nitro-4-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)aniline;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-nitro-4-(trifluoromethyl)aniline;oxido formate (PubChem CID 161028921) has the molecular formula C88H77Cl4Cs2F21N20O13 and a molecular weight of 2429.29 g/mol. Its IUPAC name is dicesium;acetic acid;acetyl acetate;N-[2-[(6-chloropyrazin-2-yl)amino]-4-(trifluoromethyl)phenyl]acetamide;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethyl)benzimidazole;2,6-dichloropyrazine;hydride;methane;4-methylaniline;1-methyl-2-nitro-4-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)aniline;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-nitro-4-(trifluoromethyl)aniline;oxido formate.

Molecular Properties

Compound Namedicesium;acetic acid;acetyl acetate;N-[2-[(6-chloropyrazin-2-yl)amino]-4-(trifluoromethyl)phenyl]acetamide;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethyl)benzimidazole;2,6-dichloropyrazine;hydride;methane;4-methylaniline;1-methyl-2-nitro-4-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)aniline;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-nitro-4-(trifluoromethyl)aniline;oxido formate
PubChem CID161028921
Molecular FormulaC88H77Cl4Cs2F21N20O13
Molecular Weight2429.29 g/mol
Exact Mass2426.25
IUPAC Namedicesium;acetic acid;acetyl acetate;N-[2-[(6-chloropyrazin-2-yl)amino]-4-(trifluoromethyl)phenyl]acetamide;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethyl)benzimidazole;2,6-dichloropyrazine;hydride;methane;4-methylaniline;1-methyl-2-nitro-4-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)aniline;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-nitro-4-(trifluoromethyl)aniline;oxido formate
SMILESC.CC(=O)Nc1ccc(C(F)(F)F)cc1Nc1cncc(Cl)n1.CC(=O)O.CC(=O)OC(C)=O.Cc1ccc(C(F)(F)F)cc1N.Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-].Cc1ccc(N)cc1.Cc1nc2ccc(C(F)(F)F)cc2n1-c1cncc(Cl)n1.Cc1nc2ccc(C(F)(F)F)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Clc1cncc(Cl)n1.Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-].O=CO[O-].[Cs+].[Cs+].[H-]
InChIInChI=1S/C20H13F6N5.C13H10ClF3N4O.C13H8ClF3N4.C8H6F3NO2.C8H8F3N.C7H5F3N2O2.C7H9N.C4H2Cl2N2.C4H6O3.C2H4O2.CH2O3.CH4.2Cs.H/c1-11-28-15-7-4-13(20(24,25)26)8-16(15)31(11)18-10-27-9-17(30-18)29-14-5-2-12(3-6-14)19(21,22)23;1-7(22)19-9-3-2-8(13(15,16)17)4-10(9)20-12-6-18-5-11(14)21-12;1-7-19-9-3-2-8(13(15,16)17)4-10(9)21(7)12-6-18-5-11(14)20-12;1-5-2-3-6(8(9,10)11)4-7(5)12(13)14;1-5-2-3-6(4-7(5)12)8(9,10)11;8-7(9,10)4-1-2-5(11)6(3-4)12(13)14;1-6-2-4-7(8)5-3-6;5-3-1-7-2-4(6)8-3;1-3(5)7-4(2)6;1-2(3)4;2-1-4-3;;;;/h2-10H,1H3,(H,29,30);2-6H,1H3,(H,19,22)(H,20,21);2-6H,1H3;2-4H,1H3;2-4H,12H2,1H3;1-3H,11H2;2-5H,8H2,1H3;1-2H;1-2H3;1H3,(H,3,4);1,3H;1H4;;;/q;;;;;;;;;;;;2*+1;-1/p-1
InChIKeyFRFDASBFBXYTLJ-UHFFFAOYSA-M
XLogP18.00
TPSA486.29 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds10
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002429.29
LogP ≤ 518.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze dicesium;acetic acid;acetyl acetate;N-[2-[(6-chloropyrazin-2-yl)amino]-4-(trifluoromethyl)phenyl]acetamide;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethyl)benzimidazole;2,6-dichloropyrazine;hydride;methane;4-methylaniline;1-methyl-2-nitro-4-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)aniline;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-nitro-4-(trifluoromethyl)aniline;oxido formate with MolForge

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Related Compounds

6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095066
6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094765
6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
CID 118094365
6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094532
6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 73427235
4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid
CID 122555256
methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate
CID 118094621
6-(2-isocyanobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanol;(NE)-N-[1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethylidene]hydroxylamine;4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 172986478
sodium;acetic acid;benzene-1,2-diamine;2-N-(6-chloro-4-methyl-2-pyridinyl)benzene-1,2-diamine;1-(6-chloro-4-methyl-2-pyridinyl)-2-methylbenzimidazole;2,6-dichloro-4-methylpyridine;4-methoxyaniline;N-(4-methoxyphenyl)-4-methyl-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine;2-methylbutan-2-olate;1,1,1-trimethoxyethane
CID 158551498
2-N-(5-methoxy-2-nitrophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine
CID 118101516
6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095108
CID 161041237
CID 161041237

Frequently Asked Questions

What is the IUPAC name of dicesium;acetic acid;acetyl acetate;N-[2-[(6-chloropyrazin-2-yl)amino]-4-(trifluoromethyl)phenyl]acetamide;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethyl)benzimidazole;2,6-dichloropyrazine;hydride;methane;4-methylaniline;1-methyl-2-nitro-4-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)aniline;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-nitro-4-(trifluoromethyl)aniline;oxido formate?
The IUPAC name of dicesium;acetic acid;acetyl acetate;N-[2-[(6-chloropyrazin-2-yl)amino]-4-(trifluoromethyl)phenyl]acetamide;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethyl)benzimidazole;2,6-dichloropyrazine;hydride;methane;4-methylaniline;1-methyl-2-nitro-4-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)aniline;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-nitro-4-(trifluoromethyl)aniline;oxido formate (CID 161028921) is dicesium;acetic acid;acetyl acetate;N-[2-[(6-chloropyrazin-2-yl)amino]-4-(trifluoromethyl)phenyl]acetamide;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethyl)benzimidazole;2,6-dichloropyrazine;hydride;methane;4-methylaniline;1-methyl-2-nitro-4-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)aniline;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-nitro-4-(trifluoromethyl)aniline;oxido formate.
What is the SMILES notation for dicesium;acetic acid;acetyl acetate;N-[2-[(6-chloropyrazin-2-yl)amino]-4-(trifluoromethyl)phenyl]acetamide;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethyl)benzimidazole;2,6-dichloropyrazine;hydride;methane;4-methylaniline;1-methyl-2-nitro-4-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)aniline;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-nitro-4-(trifluoromethyl)aniline;oxido formate?
The canonical SMILES for dicesium;acetic acid;acetyl acetate;N-[2-[(6-chloropyrazin-2-yl)amino]-4-(trifluoromethyl)phenyl]acetamide;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethyl)benzimidazole;2,6-dichloropyrazine;hydride;methane;4-methylaniline;1-methyl-2-nitro-4-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)aniline;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-nitro-4-(trifluoromethyl)aniline;oxido formate is C.CC(=O)Nc1ccc(C(F)(F)F)cc1Nc1cncc(Cl)n1.CC(=O)O.CC(=O)OC(C)=O.Cc1ccc(C(F)(F)F)cc1N.Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-].Cc1ccc(N)cc1.Cc1nc2ccc(C(F)(F)F)cc2n1-c1cncc(Cl)n1.Cc1nc2ccc(C(F)(F)F)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Clc1cncc(Cl)n1.Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-].O=CO[O-].[Cs+].[Cs+].[H-].
What is the InChIKey of dicesium;acetic acid;acetyl acetate;N-[2-[(6-chloropyrazin-2-yl)amino]-4-(trifluoromethyl)phenyl]acetamide;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethyl)benzimidazole;2,6-dichloropyrazine;hydride;methane;4-methylaniline;1-methyl-2-nitro-4-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)aniline;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-nitro-4-(trifluoromethyl)aniline;oxido formate?
The InChIKey is FRFDASBFBXYTLJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H13F6N5.C13H10ClF3N4O.C13H8ClF3N4.C8H6F3NO2.C8H8F3N.C7H5F3N2O2.C7H9N.C4H2Cl2N2.C4H6O3.C2H4O2.CH2O3.CH4.2Cs.H/c1-11-28-15-7-4-13(20(24,25)26)8-16(15)31(11)18-10-27-9-17(30-18)29-14-5-2-12(3-6-14)19(21,22)23;1-7(22)19-9-3-2-8(13(15,16)17)4-10(9)20-12-6-18-5-11(14)21-12;1-7-19-9-3-2-8(13(15,16)17)4-10(9)21(7)12-6-18-5-11(14)20-12;1-5-2-3-6(8(9,10)11)4-7(5)12(13)14;1-5-2-3-6(4-7(5)12)8(9,10)11;8-7(9,10)4-1-2-5(11)6(3-4)12(13)14;1-6-2-4-7(8)5-3-6;5-3-1-7-2-4(6)8-3;1-3(5)7-4(2)6;1-2(3)4;2-1-4-3;;;;/h2-10H,1H3,(H,29,30);2-6H,1H3,(H,19,22)(H,20,21);2-6H,1H3;2-4H,1H3;2-4H,12H2,1H3;1-3H,11H2;2-5H,8H2,1H3;1-2H;1-2H3;1H3,(H,3,4);1,3H;1H4;;;/q;;;;;;;;;;;;2*+1;-1/p-1.
What are the key properties of dicesium;acetic acid;acetyl acetate;N-[2-[(6-chloropyrazin-2-yl)amino]-4-(trifluoromethyl)phenyl]acetamide;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethyl)benzimidazole;2,6-dichloropyrazine;hydride;methane;4-methylaniline;1-methyl-2-nitro-4-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)aniline;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-nitro-4-(trifluoromethyl)aniline;oxido formate?
dicesium;acetic acid;acetyl acetate;N-[2-[(6-chloropyrazin-2-yl)amino]-4-(trifluoromethyl)phenyl]acetamide;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethyl)benzimidazole;2,6-dichloropyrazine;hydride;methane;4-methylaniline;1-methyl-2-nitro-4-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)aniline;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-nitro-4-(trifluoromethyl)aniline;oxido formate has a molecular weight of 2429.29 g/mol, XLogP of 18.00, 10 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;acetic acid;acetyl acetate;N-[2-[(6-chloropyrazin-2-yl)amino]-4-(trifluoromethyl)phenyl]acetamide;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethyl)benzimidazole;2,6-dichloropyrazine;hydride;methane;4-methylaniline;1-methyl-2-nitro-4-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)aniline;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-nitro-4-(trifluoromethyl)aniline;oxido formate is sourced from PubChem (CID 161028921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).