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

C11H16N2 — CID 170045902

IUPAC(4E)-5-methylidene-4-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole
SMILESC=c1[nH]cn/c1=C/C(=C\C)C(C)C
InChIInChI=1S/C11H16N2/c1-5-10(8(2)3)6-11-9(4)12-7-13-11/h5-8H,4H2,1-3H3,(H,12,13)/b10-5+,11-6+
InChIKeyBHVMPOHYTXXWAO-YOYBCKCWSA-N
MW176.26 g/mol
LogP1.20
Rot. Bonds2

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

(4E)-5-methylidene-4-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole (PubChem CID 170045902) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (4E)-5-methylidene-4-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole.

Molecular Properties

Compound Name(4E)-5-methylidene-4-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole
PubChem CID170045902
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(4E)-5-methylidene-4-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole
SMILESC=c1[nH]cn/c1=C/C(=C\C)C(C)C
InChIInChI=1S/C11H16N2/c1-5-10(8(2)3)6-11-9(4)12-7-13-11/h5-8H,4H2,1-3H3,(H,12,13)/b10-5+,11-6+
InChIKeyBHVMPOHYTXXWAO-YOYBCKCWSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-5-methylidene-4-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole?
The IUPAC name of (4E)-5-methylidene-4-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole (CID 170045902) is (4E)-5-methylidene-4-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole.
What is the SMILES notation for (4E)-5-methylidene-4-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole?
The canonical SMILES for (4E)-5-methylidene-4-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole is C=c1[nH]cn/c1=C/C(=C\C)C(C)C.
What is the InChIKey of (4E)-5-methylidene-4-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole?
The InChIKey is BHVMPOHYTXXWAO-YOYBCKCWSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-10(8(2)3)6-11-9(4)12-7-13-11/h5-8H,4H2,1-3H3,(H,12,13)/b10-5+,11-6+.
What are the key properties of (4E)-5-methylidene-4-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole?
(4E)-5-methylidene-4-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole has a molecular weight of 176.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methylidene-4-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole is sourced from PubChem (CID 170045902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).