(5E)-4-methylidene-1-prop-2-ynyl-5-[(E)-2-(trifluoromethyl)but-2-enylidene]imidazole

C12H11F3N2 — CID 138535097

IUPAC(5E)-4-methylidene-1-prop-2-ynyl-5-[(E)-2-(trifluoromethyl)but-2-enylidene]imidazole
SMILESC#CCn1cnc(=C)/c1=C\C(=C/C)C(F)(F)F
InChIInChI=1S/C12H11F3N2/c1-4-6-17-8-16-9(3)11(17)7-10(5-2)12(13,14)15/h1,5,7-8H,3,6H2,2H3/b10-5+,11-7+
InChIKeyURJHGYZGQCZWGV-JRNXONEVSA-N
MW240.23 g/mol
LogP1.22
Rot. Bonds2

About (5E)-4-methylidene-1-prop-2-ynyl-5-[(E)-2-(trifluoromethyl)but-2-enylidene]imidazole

(5E)-4-methylidene-1-prop-2-ynyl-5-[(E)-2-(trifluoromethyl)but-2-enylidene]imidazole (PubChem CID 138535097) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is (5E)-4-methylidene-1-prop-2-ynyl-5-[(E)-2-(trifluoromethyl)but-2-enylidene]imidazole.

Molecular Properties

Compound Name(5E)-4-methylidene-1-prop-2-ynyl-5-[(E)-2-(trifluoromethyl)but-2-enylidene]imidazole
PubChem CID138535097
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name(5E)-4-methylidene-1-prop-2-ynyl-5-[(E)-2-(trifluoromethyl)but-2-enylidene]imidazole
SMILESC#CCn1cnc(=C)/c1=C\C(=C/C)C(F)(F)F
InChIInChI=1S/C12H11F3N2/c1-4-6-17-8-16-9(3)11(17)7-10(5-2)12(13,14)15/h1,5,7-8H,3,6H2,2H3/b10-5+,11-7+
InChIKeyURJHGYZGQCZWGV-JRNXONEVSA-N
XLogP1.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-4-methylidene-1-prop-2-ynyl-5-[(E)-2-(trifluoromethyl)but-2-enylidene]imidazole?
The IUPAC name of (5E)-4-methylidene-1-prop-2-ynyl-5-[(E)-2-(trifluoromethyl)but-2-enylidene]imidazole (CID 138535097) is (5E)-4-methylidene-1-prop-2-ynyl-5-[(E)-2-(trifluoromethyl)but-2-enylidene]imidazole.
What is the SMILES notation for (5E)-4-methylidene-1-prop-2-ynyl-5-[(E)-2-(trifluoromethyl)but-2-enylidene]imidazole?
The canonical SMILES for (5E)-4-methylidene-1-prop-2-ynyl-5-[(E)-2-(trifluoromethyl)but-2-enylidene]imidazole is C#CCn1cnc(=C)/c1=C\C(=C/C)C(F)(F)F.
What is the InChIKey of (5E)-4-methylidene-1-prop-2-ynyl-5-[(E)-2-(trifluoromethyl)but-2-enylidene]imidazole?
The InChIKey is URJHGYZGQCZWGV-JRNXONEVSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-4-6-17-8-16-9(3)11(17)7-10(5-2)12(13,14)15/h1,5,7-8H,3,6H2,2H3/b10-5+,11-7+.
What are the key properties of (5E)-4-methylidene-1-prop-2-ynyl-5-[(E)-2-(trifluoromethyl)but-2-enylidene]imidazole?
(5E)-4-methylidene-1-prop-2-ynyl-5-[(E)-2-(trifluoromethyl)but-2-enylidene]imidazole has a molecular weight of 240.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-methylidene-1-prop-2-ynyl-5-[(E)-2-(trifluoromethyl)but-2-enylidene]imidazole is sourced from PubChem (CID 138535097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).