(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole

C11H16N2 — CID 129018850

IUPAC(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole
SMILESC=C/C=c1/[nH]c(C(C)C)n/c1=C/C
InChIInChI=1S/C11H16N2/c1-5-7-10-9(6-2)12-11(13-10)8(3)4/h5-8H,1H2,2-4H3,(H,12,13)/b9-6+,10-7+
InChIKeyZJLLCAHEDPPHAC-KZZDLZNXSA-N
MW176.26 g/mol
LogP1.30
Rot. Bonds2

About (4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole

(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole (PubChem CID 129018850) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole.

Molecular Properties

Compound Name(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole
PubChem CID129018850
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole
SMILESC=C/C=c1/[nH]c(C(C)C)n/c1=C/C
InChIInChI=1S/C11H16N2/c1-5-7-10-9(6-2)12-11(13-10)8(3)4/h5-8H,1H2,2-4H3,(H,12,13)/b9-6+,10-7+
InChIKeyZJLLCAHEDPPHAC-KZZDLZNXSA-N
XLogP1.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole?
The IUPAC name of (4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole (CID 129018850) is (4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole.
What is the SMILES notation for (4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole?
The canonical SMILES for (4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole is C=C/C=c1/[nH]c(C(C)C)n/c1=C/C.
What is the InChIKey of (4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole?
The InChIKey is ZJLLCAHEDPPHAC-KZZDLZNXSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-7-10-9(6-2)12-11(13-10)8(3)4/h5-8H,1H2,2-4H3,(H,12,13)/b9-6+,10-7+.
What are the key properties of (4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole?
(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole has a molecular weight of 176.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole is sourced from PubChem (CID 129018850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).