zinc;6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;carbanide;6-(4,5-dibromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C49H43Br3F9N15Zn — CID 162123515

IUPACzinc;6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;carbanide;6-(4,5-dibromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCc1cnc(C)n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc(Br)c(Br)n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc(Br)c(C)n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.[CH3-].[CH3-].[Zn+2]
InChIInChI=1S/C16H13BrF3N5.C16H14F3N5.C15H10Br2F3N5.2CH3.Zn/c1-9-15(17)22-10(2)25(9)14-8-21-7-13(24-14)23-12-5-3-11(4-6-12)16(18,19)20;1-10-7-21-11(2)24(10)15-9-20-8-14(23-15)22-13-5-3-12(4-6-13)16(17,18)19;1-8-22-13(16)14(17)25(8)12-7-21-6-11(24-12)23-10-4-2-9(3-5-10)15(18,19)20;;;/h3-8H,1-2H3,(H,23,24);3-9H,1-2H3,(H,22,23);2-7H,1H3,(H,23,24);2*1H3;/q;;;2*-1;+2
InChIKeyZHSNCOVNGLCYIF-UHFFFAOYSA-N
MW1318.07 g/mol
LogP15.00
Rot. Bonds9

About zinc;6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;carbanide;6-(4,5-dibromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

zinc;6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;carbanide;6-(4,5-dibromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 162123515) has the molecular formula C49H43Br3F9N15Zn and a molecular weight of 1318.07 g/mol. Its IUPAC name is zinc;6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;carbanide;6-(4,5-dibromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Namezinc;6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;carbanide;6-(4,5-dibromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID162123515
Molecular FormulaC49H43Br3F9N15Zn
Molecular Weight1318.07 g/mol
Exact Mass1313.05
IUPAC Namezinc;6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;carbanide;6-(4,5-dibromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCc1cnc(C)n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc(Br)c(Br)n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc(Br)c(C)n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.[CH3-].[CH3-].[Zn+2]
InChIInChI=1S/C16H13BrF3N5.C16H14F3N5.C15H10Br2F3N5.2CH3.Zn/c1-9-15(17)22-10(2)25(9)14-8-21-7-13(24-14)23-12-5-3-11(4-6-12)16(18,19)20;1-10-7-21-11(2)24(10)15-9-20-8-14(23-15)22-13-5-3-12(4-6-13)16(17,18)19;1-8-22-13(16)14(17)25(8)12-7-21-6-11(24-12)23-10-4-2-9(3-5-10)15(18,19)20;;;/h3-8H,1-2H3,(H,23,24);3-9H,1-2H3,(H,22,23);2-7H,1H3,(H,23,24);2*1H3;/q;;;2*-1;+2
InChIKeyZHSNCOVNGLCYIF-UHFFFAOYSA-N
XLogP15.00
TPSA166.89 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001318.07
LogP ≤ 515.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze zinc;6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;carbanide;6-(4,5-dibromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of zinc;6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;carbanide;6-(4,5-dibromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of zinc;6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;carbanide;6-(4,5-dibromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 162123515) is zinc;6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;carbanide;6-(4,5-dibromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for zinc;6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;carbanide;6-(4,5-dibromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for zinc;6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;carbanide;6-(4,5-dibromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is Cc1cnc(C)n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc(Br)c(Br)n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc(Br)c(C)n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.[CH3-].[CH3-].[Zn+2].
What is the InChIKey of zinc;6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;carbanide;6-(4,5-dibromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is ZHSNCOVNGLCYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF3N5.C16H14F3N5.C15H10Br2F3N5.2CH3.Zn/c1-9-15(17)22-10(2)25(9)14-8-21-7-13(24-14)23-12-5-3-11(4-6-12)16(18,19)20;1-10-7-21-11(2)24(10)15-9-20-8-14(23-15)22-13-5-3-12(4-6-13)16(17,18)19;1-8-22-13(16)14(17)25(8)12-7-21-6-11(24-12)23-10-4-2-9(3-5-10)15(18,19)20;;;/h3-8H,1-2H3,(H,23,24);3-9H,1-2H3,(H,22,23);2-7H,1H3,(H,23,24);2*1H3;/q;;;2*-1;+2.
What are the key properties of zinc;6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;carbanide;6-(4,5-dibromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
zinc;6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;carbanide;6-(4,5-dibromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 1318.07 g/mol, XLogP of 15.00, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;carbanide;6-(4,5-dibromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 162123515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).