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

C12H18N2 — CID 144992346

IUPAC(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-2-propan-2-yl-1H-imidazole
SMILESC/C=C\C=c1\[nH]c(C(C)C)n\c1=C\C
InChIInChI=1S/C12H18N2/c1-5-7-8-11-10(6-2)13-12(14-11)9(3)4/h5-9H,1-4H3,(H,13,14)/b7-5-,10-6+,11-8+
InChIKeyYBBZAKWNDYKVOA-VOYFLOFJSA-N
MW190.29 g/mol
LogP1.69
Rot. Bonds2

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

(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-2-propan-2-yl-1H-imidazole (PubChem CID 144992346) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-2-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-2-propan-2-yl-1H-imidazole
PubChem CID144992346
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-2-propan-2-yl-1H-imidazole
SMILESC/C=C\C=c1\[nH]c(C(C)C)n\c1=C\C
InChIInChI=1S/C12H18N2/c1-5-7-8-11-10(6-2)13-12(14-11)9(3)4/h5-9H,1-4H3,(H,13,14)/b7-5-,10-6+,11-8+
InChIKeyYBBZAKWNDYKVOA-VOYFLOFJSA-N
XLogP1.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-Methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazepine
CID 22959166
[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine
CID 88939569
2-[(4E)-5-methylidene-4-prop-2-enylidene-1H-imidazol-2-yl]acetonitrile
CID 89341327
9-Methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine
CID 90836516
(4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole
CID 91464077
(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1H-imidazole
CID 123195019
[(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine
CID 123452172
N-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine
CID 123618590
(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole
CID 129018850
(4E,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-1H-imidazole
CID 129019078
N-buta-1,3-dien-2-yl-N'-[(Z)-but-2-enyl]-2-methylbutanimidamide
CID 129163449
(4E)-2-butan-2-yl-5-methylidene-4-prop-2-enylidene-1H-imidazole
CID 129189813

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-2-propan-2-yl-1H-imidazole?
The IUPAC name of (4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-2-propan-2-yl-1H-imidazole (CID 144992346) is (4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-2-propan-2-yl-1H-imidazole.
What is the SMILES notation for (4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-2-propan-2-yl-1H-imidazole?
The canonical SMILES for (4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-2-propan-2-yl-1H-imidazole is C/C=C\C=c1\[nH]c(C(C)C)n\c1=C\C.
What is the InChIKey of (4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-2-propan-2-yl-1H-imidazole?
The InChIKey is YBBZAKWNDYKVOA-VOYFLOFJSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-7-8-11-10(6-2)13-12(14-11)9(3)4/h5-9H,1-4H3,(H,13,14)/b7-5-,10-6+,11-8+.
What are the key properties of (4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-2-propan-2-yl-1H-imidazole?
(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-2-propan-2-yl-1H-imidazole has a molecular weight of 190.29 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-2-propan-2-yl-1H-imidazole is sourced from PubChem (CID 144992346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).