(4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole

C12H16N2 — CID 91464077

IUPAC(4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole
SMILESC=C/C=c1/[nH]c(CC)n/c1=C/C=CC
InChIInChI=1S/C12H16N2/c1-4-7-9-11-10(8-5-2)13-12(6-3)14-11/h4-5,7-9H,2,6H2,1,3H3,(H,13,14)/b7-4?,10-8+,11-9+
InChIKeyZQCZXQVYQDKDKI-LVLPCPQXSA-N
MW188.27 g/mol
LogP1.30
Rot. Bonds3

About (4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole

(4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole (PubChem CID 91464077) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole.

Molecular Properties

Compound Name(4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole
PubChem CID91464077
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole
SMILESC=C/C=c1/[nH]c(CC)n/c1=C/C=CC
InChIInChI=1S/C12H16N2/c1-4-7-9-11-10(8-5-2)13-12(6-3)14-11/h4-5,7-9H,2,6H2,1,3H3,(H,13,14)/b7-4?,10-8+,11-9+
InChIKeyZQCZXQVYQDKDKI-LVLPCPQXSA-N
XLogP1.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-1,7-dihydrobenzimidazol-7-ide;yttrium
CID 59098032
(E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
CID 88586966
[(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
2-ethyl-4,5-dimethylidene-1H-imidazole
CID 91247008
N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide
CID 121279957
(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1H-imidazole
CID 123195019
N,N'-bis(but-2-en-2-yl)propanimidamide
CID 123391975
[(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)-4-ethylidene-2-methyl-5-methylidene-1H-imidazole
CID 123822050

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole?
The IUPAC name of (4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole (CID 91464077) is (4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole.
What is the SMILES notation for (4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole?
The canonical SMILES for (4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole is C=C/C=c1/[nH]c(CC)n/c1=C/C=CC.
What is the InChIKey of (4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole?
The InChIKey is ZQCZXQVYQDKDKI-LVLPCPQXSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-7-9-11-10(8-5-2)13-12(6-3)14-11/h4-5,7-9H,2,6H2,1,3H3,(H,13,14)/b7-4?,10-8+,11-9+.
What are the key properties of (4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole?
(4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole has a molecular weight of 188.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole is sourced from PubChem (CID 91464077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).