ethane;(4E,5E)-4-ethylidene-5-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole

C14H24N2 — CID 177333136

IUPACethane;(4E,5E)-4-ethylidene-5-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole
SMILESC/C=C(\C=c1\[nH]cn\c1=C\C)C(C)C.CC
InChIInChI=1S/C12H18N2.C2H6/c1-5-10(9(3)4)7-12-11(6-2)13-8-14-12;1-2/h5-9H,1-4H3,(H,13,14);1-2H3/b10-5+,11-6+,12-7+;
InChIKeyOWSKBGZHBANYRU-FEGNATJUSA-N
MW220.36 g/mol
LogP2.62
Rot. Bonds2

About ethane;(4E,5E)-4-ethylidene-5-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole

ethane;(4E,5E)-4-ethylidene-5-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole (PubChem CID 177333136) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;(4E,5E)-4-ethylidene-5-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole.

Molecular Properties

Compound Nameethane;(4E,5E)-4-ethylidene-5-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole
PubChem CID177333136
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Nameethane;(4E,5E)-4-ethylidene-5-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole
SMILESC/C=C(\C=c1\[nH]cn\c1=C\C)C(C)C.CC
InChIInChI=1S/C12H18N2.C2H6/c1-5-10(9(3)4)7-12-11(6-2)13-8-14-12;1-2/h5-9H,1-4H3,(H,13,14);1-2H3/b10-5+,11-6+,12-7+;
InChIKeyOWSKBGZHBANYRU-FEGNATJUSA-N
XLogP2.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(4E,5E)-4-ethylidene-5-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole?
The IUPAC name of ethane;(4E,5E)-4-ethylidene-5-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole (CID 177333136) is ethane;(4E,5E)-4-ethylidene-5-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole.
What is the SMILES notation for ethane;(4E,5E)-4-ethylidene-5-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole?
The canonical SMILES for ethane;(4E,5E)-4-ethylidene-5-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole is C/C=C(\C=c1\[nH]cn\c1=C\C)C(C)C.CC.
What is the InChIKey of ethane;(4E,5E)-4-ethylidene-5-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole?
The InChIKey is OWSKBGZHBANYRU-FEGNATJUSA-N. The full InChI is InChI=1S/C12H18N2.C2H6/c1-5-10(9(3)4)7-12-11(6-2)13-8-14-12;1-2/h5-9H,1-4H3,(H,13,14);1-2H3/b10-5+,11-6+,12-7+;.
What are the key properties of ethane;(4E,5E)-4-ethylidene-5-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole?
ethane;(4E,5E)-4-ethylidene-5-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole has a molecular weight of 220.36 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,5E)-4-ethylidene-5-[(Z)-2-propan-2-ylbut-2-enylidene]-1H-imidazole is sourced from PubChem (CID 177333136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).