(4E,5E)-4,5-di(ethylidene)-1H-imidazole;ethane

C9H16N2 — CID 143316935

IUPAC(4E,5E)-4,5-di(ethylidene)-1H-imidazole;ethane
SMILESC/C=c1/nc[nH]/c1=C/C.CC
InChIInChI=1S/C7H10N2.C2H6/c1-3-6-7(4-2)9-5-8-6;1-2/h3-5H,1-2H3,(H,8,9);1-2H3/b6-3+,7-4+;
InChIKeyXQBLITZFADFYBO-BTQXJGEMSA-N
MW152.24 g/mol
LogP1.04
Rot. Bonds

About (4E,5E)-4,5-di(ethylidene)-1H-imidazole;ethane

(4E,5E)-4,5-di(ethylidene)-1H-imidazole;ethane (PubChem CID 143316935) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (4E,5E)-4,5-di(ethylidene)-1H-imidazole;ethane.

Molecular Properties

Compound Name(4E,5E)-4,5-di(ethylidene)-1H-imidazole;ethane
PubChem CID143316935
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(4E,5E)-4,5-di(ethylidene)-1H-imidazole;ethane
SMILESC/C=c1/nc[nH]/c1=C/C.CC
InChIInChI=1S/C7H10N2.C2H6/c1-3-6-7(4-2)9-5-8-6;1-2/h3-5H,1-2H3,(H,8,9);1-2H3/b6-3+,7-4+;
InChIKeyXQBLITZFADFYBO-BTQXJGEMSA-N
XLogP1.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-di(propan-2-ylidene)-1H-imidazole
CID 57564420
(5E)-5-[(2Z)-penta-2,4-dienylidene]-1,4-dihydroimidazole
CID 88228822
(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-imidazole
CID 88244269
(E)-[(4E)-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
CID 88544990
(Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine
CID 88947542
(4E,5E)-4,5-di(ethylidene)-1H-imidazole
CID 90084299
5-methylidene-4-propan-2-ylidene-1H-imidazole
CID 90834861
(4E)-4-(2-bromo-3-methylbut-2-enylidene)-5-methylidene-1H-imidazole
CID 117763467
N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine
CID 123218601
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole
CID 123668500
1H-cycloocta[d]imidazole
CID 123886935
(4E)-4-but-2-enylidene-5-methylidene-1H-imidazole
CID 124018396

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4,5-di(ethylidene)-1H-imidazole;ethane?
The IUPAC name of (4E,5E)-4,5-di(ethylidene)-1H-imidazole;ethane (CID 143316935) is (4E,5E)-4,5-di(ethylidene)-1H-imidazole;ethane.
What is the SMILES notation for (4E,5E)-4,5-di(ethylidene)-1H-imidazole;ethane?
The canonical SMILES for (4E,5E)-4,5-di(ethylidene)-1H-imidazole;ethane is C/C=c1/nc[nH]/c1=C/C.CC.
What is the InChIKey of (4E,5E)-4,5-di(ethylidene)-1H-imidazole;ethane?
The InChIKey is XQBLITZFADFYBO-BTQXJGEMSA-N. The full InChI is InChI=1S/C7H10N2.C2H6/c1-3-6-7(4-2)9-5-8-6;1-2/h3-5H,1-2H3,(H,8,9);1-2H3/b6-3+,7-4+;.
What are the key properties of (4E,5E)-4,5-di(ethylidene)-1H-imidazole;ethane?
(4E,5E)-4,5-di(ethylidene)-1H-imidazole;ethane has a molecular weight of 152.24 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4,5-di(ethylidene)-1H-imidazole;ethane is sourced from PubChem (CID 143316935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).