2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-5-methylidene-6-(trifluoromethyl)-4H-imidazo[4,5-b]pyridine;zinc

C15H15F3N5SZn- — CID 149155052

IUPAC2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-5-methylidene-6-(trifluoromethyl)-4H-imidazo[4,5-b]pyridine;zinc
SMILESC=C1Nc2c(nc(-c3n[c-]n(C)c3SCC)n2C)C=C1C(F)(F)F.[Zn]
InChIInChI=1S/C15H15F3N5S.Zn/c1-5-24-14-11(19-7-22(14)3)13-21-10-6-9(15(16,17)18)8(2)20-12(10)23(13)4;/h6,20H,2,5H2,1,3-4H3;/q-1;
InChIKeyVUVQRECKTRWGCH-UHFFFAOYSA-N
MW419.77 g/mol
LogP3.62
Rot. Bonds3

About 2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-5-methylidene-6-(trifluoromethyl)-4H-imidazo[4,5-b]pyridine;zinc

2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-5-methylidene-6-(trifluoromethyl)-4H-imidazo[4,5-b]pyridine;zinc (PubChem CID 149155052) has the molecular formula C15H15F3N5SZn- and a molecular weight of 419.77 g/mol. Its IUPAC name is 2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-5-methylidene-6-(trifluoromethyl)-4H-imidazo[4,5-b]pyridine;zinc.

Molecular Properties

Compound Name2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-5-methylidene-6-(trifluoromethyl)-4H-imidazo[4,5-b]pyridine;zinc
PubChem CID149155052
Molecular FormulaC15H15F3N5SZn-
Molecular Weight419.77 g/mol
Exact Mass418.03
IUPAC Name2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-5-methylidene-6-(trifluoromethyl)-4H-imidazo[4,5-b]pyridine;zinc
SMILESC=C1Nc2c(nc(-c3n[c-]n(C)c3SCC)n2C)C=C1C(F)(F)F.[Zn]
InChIInChI=1S/C15H15F3N5S.Zn/c1-5-24-14-11(19-7-22(14)3)13-21-10-6-9(15(16,17)18)8(2)20-12(10)23(13)4;/h6,20H,2,5H2,1,3-4H3;/q-1;
InChIKeyVUVQRECKTRWGCH-UHFFFAOYSA-N
XLogP3.62
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.77
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-5-methylidene-6-(trifluoromethyl)-4H-imidazo[4,5-b]pyridine;zinc?
The IUPAC name of 2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-5-methylidene-6-(trifluoromethyl)-4H-imidazo[4,5-b]pyridine;zinc (CID 149155052) is 2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-5-methylidene-6-(trifluoromethyl)-4H-imidazo[4,5-b]pyridine;zinc.
What is the SMILES notation for 2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-5-methylidene-6-(trifluoromethyl)-4H-imidazo[4,5-b]pyridine;zinc?
The canonical SMILES for 2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-5-methylidene-6-(trifluoromethyl)-4H-imidazo[4,5-b]pyridine;zinc is C=C1Nc2c(nc(-c3n[c-]n(C)c3SCC)n2C)C=C1C(F)(F)F.[Zn].
What is the InChIKey of 2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-5-methylidene-6-(trifluoromethyl)-4H-imidazo[4,5-b]pyridine;zinc?
The InChIKey is VUVQRECKTRWGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N5S.Zn/c1-5-24-14-11(19-7-22(14)3)13-21-10-6-9(15(16,17)18)8(2)20-12(10)23(13)4;/h6,20H,2,5H2,1,3-4H3;/q-1;.
What are the key properties of 2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-5-methylidene-6-(trifluoromethyl)-4H-imidazo[4,5-b]pyridine;zinc?
2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-5-methylidene-6-(trifluoromethyl)-4H-imidazo[4,5-b]pyridine;zinc has a molecular weight of 419.77 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylsulfanyl-1-methyl-2H-imidazol-2-id-4-yl)-3-methyl-5-methylidene-6-(trifluoromethyl)-4H-imidazo[4,5-b]pyridine;zinc is sourced from PubChem (CID 149155052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).