(4Z,5E)-4-(1-fluoroethylidene)-2-methyl-1-propan-2-yl-5-propylideneimidazole

C12H19FN2 — CID 135162214

IUPAC(4Z,5E)-4-(1-fluoroethylidene)-2-methyl-1-propan-2-yl-5-propylideneimidazole
SMILESCC/C=c1\c(=C(/C)F)nc(C)n1C(C)C
InChIInChI=1S/C12H19FN2/c1-6-7-11-12(9(4)13)14-10(5)15(11)8(2)3/h7-8H,6H2,1-5H3/b11-7+,12-9-
InChIKeyWNGWWDIPXNHVIZ-WSWPAOCJSA-N
MW210.30 g/mol
LogP2.06
Rot. Bonds2

About (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-1-propan-2-yl-5-propylideneimidazole

(4Z,5E)-4-(1-fluoroethylidene)-2-methyl-1-propan-2-yl-5-propylideneimidazole (PubChem CID 135162214) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-1-propan-2-yl-5-propylideneimidazole.

Molecular Properties

Compound Name(4Z,5E)-4-(1-fluoroethylidene)-2-methyl-1-propan-2-yl-5-propylideneimidazole
PubChem CID135162214
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name(4Z,5E)-4-(1-fluoroethylidene)-2-methyl-1-propan-2-yl-5-propylideneimidazole
SMILESCC/C=c1\c(=C(/C)F)nc(C)n1C(C)C
InChIInChI=1S/C12H19FN2/c1-6-7-11-12(9(4)13)14-10(5)15(11)8(2)3/h7-8H,6H2,1-5H3/b11-7+,12-9-
InChIKeyWNGWWDIPXNHVIZ-WSWPAOCJSA-N
XLogP2.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-1-propan-2-yl-5-propylideneimidazole?
The IUPAC name of (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-1-propan-2-yl-5-propylideneimidazole (CID 135162214) is (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-1-propan-2-yl-5-propylideneimidazole.
What is the SMILES notation for (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-1-propan-2-yl-5-propylideneimidazole?
The canonical SMILES for (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-1-propan-2-yl-5-propylideneimidazole is CC/C=c1\c(=C(/C)F)nc(C)n1C(C)C.
What is the InChIKey of (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-1-propan-2-yl-5-propylideneimidazole?
The InChIKey is WNGWWDIPXNHVIZ-WSWPAOCJSA-N. The full InChI is InChI=1S/C12H19FN2/c1-6-7-11-12(9(4)13)14-10(5)15(11)8(2)3/h7-8H,6H2,1-5H3/b11-7+,12-9-.
What are the key properties of (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-1-propan-2-yl-5-propylideneimidazole?
(4Z,5E)-4-(1-fluoroethylidene)-2-methyl-1-propan-2-yl-5-propylideneimidazole has a molecular weight of 210.30 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-1-propan-2-yl-5-propylideneimidazole is sourced from PubChem (CID 135162214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).