(5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole

C12H15F3N2 — CID 146359447

IUPAC(5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole
SMILESC=c1nc(C)n(C)/c1=C/C=C(\C)C(F)(F)CF
InChIInChI=1S/C12H15F3N2/c1-8(12(14,15)7-13)5-6-11-9(2)16-10(3)17(11)4/h5-6H,2,7H2,1,3-4H3/b8-5+,11-6+
InChIKeyFCMRPJFKAKWBTH-XSIURBDDSA-N
MW244.26 g/mol
LogP1.47
Rot. Bonds3

About (5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole

(5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole (PubChem CID 146359447) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is (5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole.

Molecular Properties

Compound Name(5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole
PubChem CID146359447
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name(5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole
SMILESC=c1nc(C)n(C)/c1=C/C=C(\C)C(F)(F)CF
InChIInChI=1S/C12H15F3N2/c1-8(12(14,15)7-13)5-6-11-9(2)16-10(3)17(11)4/h5-6H,2,7H2,1,3-4H3/b8-5+,11-6+
InChIKeyFCMRPJFKAKWBTH-XSIURBDDSA-N
XLogP1.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole?
The IUPAC name of (5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole (CID 146359447) is (5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole.
What is the SMILES notation for (5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole?
The canonical SMILES for (5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole is C=c1nc(C)n(C)/c1=C/C=C(\C)C(F)(F)CF.
What is the InChIKey of (5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole?
The InChIKey is FCMRPJFKAKWBTH-XSIURBDDSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-8(12(14,15)7-13)5-6-11-9(2)16-10(3)17(11)4/h5-6H,2,7H2,1,3-4H3/b8-5+,11-6+.
What are the key properties of (5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole?
(5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole has a molecular weight of 244.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole is sourced from PubChem (CID 146359447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).