(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-2-propan-2-yl-1H-imidazole

C11H16N2 — CID 129189847

IUPAC(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-2-propan-2-yl-1H-imidazole
SMILESC=c1[nH]c(C(C)C)n/c1=C/C=C\C
InChIInChI=1S/C11H16N2/c1-5-6-7-10-9(4)12-11(13-10)8(2)3/h5-8H,4H2,1-3H3,(H,12,13)/b6-5-,10-7+
InChIKeyILQICRPNWDDWPQ-ZZWPSLBBSA-N
MW176.26 g/mol
LogP1.30
Rot. Bonds2

About (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-2-propan-2-yl-1H-imidazole

(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-2-propan-2-yl-1H-imidazole (PubChem CID 129189847) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-2-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-2-propan-2-yl-1H-imidazole
PubChem CID129189847
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-2-propan-2-yl-1H-imidazole
SMILESC=c1[nH]c(C(C)C)n/c1=C/C=C\C
InChIInChI=1S/C11H16N2/c1-5-6-7-10-9(4)12-11(13-10)8(2)3/h5-8H,4H2,1-3H3,(H,12,13)/b6-5-,10-7+
InChIKeyILQICRPNWDDWPQ-ZZWPSLBBSA-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

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-2-propan-2-yl-1H-imidazole?
The IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-2-propan-2-yl-1H-imidazole (CID 129189847) is (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-2-propan-2-yl-1H-imidazole.
What is the SMILES notation for (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-2-propan-2-yl-1H-imidazole?
The canonical SMILES for (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-2-propan-2-yl-1H-imidazole is C=c1[nH]c(C(C)C)n/c1=C/C=C\C.
What is the InChIKey of (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-2-propan-2-yl-1H-imidazole?
The InChIKey is ILQICRPNWDDWPQ-ZZWPSLBBSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-6-7-10-9(4)12-11(13-10)8(2)3/h5-8H,4H2,1-3H3,(H,12,13)/b6-5-,10-7+.
What are the key properties of (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-2-propan-2-yl-1H-imidazole?
(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-2-propan-2-yl-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)-4-[(Z)-but-2-enylidene]-5-methylidene-2-propan-2-yl-1H-imidazole is sourced from PubChem (CID 129189847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).